data_[Zr8Se6O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4644]
_cell_length_b [3.4969]
_cell_length_c [11.6590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zr4Se3O4]
_chemical_formula_sum '[Zr8 Se6 O8]'
_cell_volume [345.1000]
_cell_formula_units_Z [2]
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  4  0.2305  0.0000  0.6923  1
  Zr  Zr1  2  0.0000  0.0000  0.9595  1
  Zr  Zr2  2  0.5000  0.0000  0.0205  1
  Se  Se3  4  0.3134  0.0000  0.3805  1
  Se  Se4  2  0.0000  0.0000  0.2786  1
  O  O5  4  0.2627  0.0000  0.0904  1
  O  O6  2  0.0000  0.0000  0.5798  1
  O  O7  2  0.5000  0.0000  0.6320  1
]