data_[Li4Nb2Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6858]
_cell_length_b [6.8686]
_cell_length_c [6.3734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2NbCuS4]
_chemical_formula_sum '[Li4 Nb2 Cu2 S8]'
_cell_volume [336.4518]
_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  0.2494  0.6701  0.9999  1.0
  Nb  Nb1  2  0.0000  0.1657  0.9978  1.0
  Cu  Cu2  2  0.0000  0.8400  0.5012  1.0
  S  S3  4  0.2489  0.6761  0.3901  1.0
  S  S4  2  0.0000  0.1516  0.3577  1.0
  S  S5  2  0.0000  0.8544  0.8633  1.0
]