data_Zircon
_chemical_name_systematic          'Zirconium Silicate'
_chemical_formula_structural       'Zr (Si O4)'
_chemical_formula_sum              'O4 Si1 Zr1'
_chemical_name_mineral             Zircon
_cell_length_a                     6.6042(4)
_cell_length_b                     6.6042(4)
_cell_length_c                     5.9796(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       260.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 41/a m d Z'
_symmetry_Int_Tables_number        141
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'y+1/4, x+3/4, -z+1/4'
  2	'y+1/4, -x+3/4, -z+1/4'
  3	'x, y+1/2, -z'
  4	'x, -y, -z'
  5	'-y+3/4, x+3/4, -z+1/4'
  6	'-y+3/4, -x+3/4, -z+1/4'
  7	'-x, y+1/2, -z'
  8	'-x, -y, -z'
  9	'-y+3/4, -x+1/4, z+3/4'
 10	'-y+3/4, x+1/4, z+3/4'
 11	'-x, -y+1/2, z'
 12	'-x, y, z'
 13	'y+1/4, -x+1/4, z+3/4'
 14	'y+1/4, x+1/4, z+3/4'
 15	'x, -y+1/2, z'
 16	'x, y, z'
 17	'y+3/4, x+1/4, -z+3/4'
 18	'y+3/4, -x+1/4, -z+3/4'
 19	'x+1/2, y, -z+1/2'
 20	'x+1/2, -y+1/2, -z+1/2'
 21	'-y+1/4, x+1/4, -z+3/4'
 22	'-y+1/4, -x+1/4, -z+3/4'
 23	'-x+1/2, y, -z+1/2'
 24	'-x+1/2, -y+1/2, -z+1/2'
 25	'-y+1/4, -x+3/4, z+1/4'
 26	'-y+1/4, x+3/4, z+1/4'
 27	'-x+1/2, -y, z+1/2'
 28	'-x+1/2, y+1/2, z+1/2'
 29	'y+3/4, -x+3/4, z+1/4'
 30	'y+3/4, x+3/4, z+1/4'
 31	'x+1/2, -y, z+1/2'
 32	'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2-	-2
Si4+	4
Zr4+	4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Zr1 Zr4+ 4 a 0 0.75 0.125 1. 0 
Si1 Si4+ 4 b 0 0.25 0.375 1. 0 
O1 O2- 16 h 0 0.0660(4) 0.1951(4) 1. 0 


