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 [P2]
_cell_length_a [6.3627]
_cell_length_b [18.2646]
_cell_length_c [6.5284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Cr2Se3]
_chemical_formula_sum '[Cr4 Se6]'
_cell_volume [714.9270]
_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  0.2996  0.4963  0.4941  1
  Cr  Cr1  1  0.0000  0.5548  0.0000  1
  Cr  Cr2  1  0.5000  0.5027  0.0000  1
  Se  Se3  2  0.0930  0.4709  0.7537  1
  Se  Se4  2  0.3775  0.5914  0.2417  1
  Se  Se5  2  0.4375  0.4127  0.2604  1
]