data_[Cr8As2Se2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1778]
_cell_length_b [4.1778]
_cell_length_c [13.8873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cr4AsSeO]
_chemical_formula_sum '[Cr8 As2 Se2 O2]'
_cell_volume [242.3916]
_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
[
  Cr  Cr0  4  0.0000  0.5000  0.0052  1
  Cr  Cr1  2  0.0000  0.0000  0.3241  1
  Cr  Cr2  2  0.0000  0.0000  0.6712  1
  As  As3  2  0.0000  0.0000  0.1363  1
  Se  Se4  2  0.0000  0.0000  0.8591  1
  O  O5  2  0.0000  0.0000  0.4988  1
]