data_[Zr3Sn1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.1929]
_cell_length_b [5.1929]
_cell_length_c [5.1929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [215]
_chemical_formula_structural [Zr3SnO8]
_chemical_formula_sum '[Zr3 Sn1 O8]'
_cell_volume [140.0294]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Zr  Zr0  3  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  1  0.5000  0.5000  0.5000  1.0
  O  O2  4  0.2107  0.2107  0.7893  1.0
  O  O3  4  0.2779  0.7221  0.7221  1.0
]