data_[Li2Cr2Cu2Se6]
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 [P2_1/m]
_cell_length_a [7.3226]
_cell_length_b [3.6279]
_cell_length_c [8.7951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCrCuSe3]
_chemical_formula_sum '[Li2 Cr2 Cu2 Se6]'
_cell_volume [225.1573]
_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  2  0.2092  0.2500  0.2675  1.0
  Cr  Cr1  2  0.3206  0.7500  0.8356  1.0
  Cu  Cu2  2  0.0809  0.2500  0.5986  1.0
  Se  Se3  2  0.0934  0.2500  0.8684  1.0
  Se  Se4  2  0.2698  0.7500  0.5367  1.0
  Se  Se5  2  0.4305  0.7500  0.1379  1.0
]