data_[Cr4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P222_1]
_cell_length_a [12.4713]
_cell_length_b [18.7964]
_cell_length_c [3.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [17]
_chemical_formula_structural [Cr2Se3]
_chemical_formula_sum '[Cr4 Se6]'
_cell_volume [817.1374]
_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  2  0.0000  0.0717  0.7500  1
  Cr  Cr1  2  0.2398  0.0000  0.0000  1
  Se  Se2  4  0.1359  0.1010  0.2361  1
  Se  Se3  2  0.3665  0.0000  0.5000  1
]