data_[Li2V2Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  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 [7.5620]
_cell_length_b [6.4381]
_cell_length_c [6.2267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiV(CuS2)2]
_chemical_formula_sum '[Li2 V2 Cu4 S8]'
_cell_volume [303.1459]
_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  0.8453  0.4984  1.0
  V  V1  2  0.0000  0.1783  0.9983  1.0
  Cu  Cu2  4  0.2473  0.6726  0.0061  1.0
  S  S3  4  0.2332  0.3387  0.8727  1.0
  S  S4  2  0.0000  0.1976  0.3488  1.0
  S  S5  2  0.0000  0.8529  0.8969  1.0
]