data_[K4Cr4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.4526]
_cell_length_b [3.8233]
_cell_length_c [8.6634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCrSe2]
_chemical_formula_sum '[K4 Cr4 Se8]'
_cell_volume [464.8297]
_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
[
  K  K0  2  0.0615  0.0000  0.0490  1
  K  K1  2  0.1914  0.0000  0.5284  1
  Cr  Cr2  2  0.2794  0.5000  0.9693  1
  Cr  Cr3  2  0.3593  0.0000  0.1703  1
  Se  Se4  2  0.0042  0.5000  0.3333  1
  Se  Se5  2  0.1360  0.5000  0.7985  1
  Se  Se6  2  0.2745  0.5000  0.2387  1
  Se  Se7  2  0.3640  0.0000  0.9008  1
]