data_[Cr4Se8]
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 [C2/m]
_cell_length_a [13.2446]
_cell_length_b [3.5274]
_cell_length_c [6.0195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrSe2]
_chemical_formula_sum '[Cr4 Se8]'
_cell_volume [255.7399]
_cell_formula_units_Z [4]
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  0.2493  0.5000  0.7739  1.0
  Se  Se1  4  0.1203  0.0000  0.7972  1.0
  Se  Se2  4  0.1389  0.5000  0.3141  1.0
]