data_[Li2Cu2As2S6]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1103]
_cell_length_b [3.6745]
_cell_length_c [9.5802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCuAsS3]
_chemical_formula_sum '[Li2 Cu2 As2 S6]'
_cell_volume [249.9892]
_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  0.2770  0.2500  0.2665  1.0
  Cu  Cu1  2  0.3629  0.7500  0.9232  1.0
  As  As2  2  0.1059  0.2500  0.6544  1.0
  S  S3  2  0.0621  0.7500  0.8218  1.0
  S  S4  2  0.1929  0.7500  0.4359  1.0
  S  S5  2  0.4734  0.7500  0.1475  1.0
]