data_[Li2Cu2Bi4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.2593]
_cell_length_b [7.9662]
_cell_length_c [6.2390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiCu(BiS2)2]
_chemical_formula_sum '[Li2 Cu2 Bi4 S8]'
_cell_volume [410.4960]
_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  0.0000  0.1567  0.5085  1.0
  Cu  Cu1  2  0.0000  0.8308  0.0001  1.0
  Bi  Bi2  4  0.2444  0.3213  0.0193  1.0
  S  S3  4  0.2402  0.6991  0.1029  1.0
  S  S4  2  0.0000  0.1094  0.1145  1.0
  S  S5  2  0.0000  0.8623  0.6325  1.0
]