data_[Li4Cr2Cu4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2994]
_cell_length_b [3.7293]
_cell_length_c [7.2036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Cr(CuSe2)2]
_chemical_formula_sum '[Li4 Cr2 Cu4 Se8]'
_cell_volume [333.1818]
_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
[
  Li  Li0  4  0.1466  0.0000  0.5176  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1816  0.5000  0.9720  1.0
  Se  Se3  4  0.0092  0.5000  0.2555  1.0
  Se  Se4  4  0.2118  0.0000  0.2158  1.0
]