data_[La4Cu4Te4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4987]
_cell_length_b [7.7892]
_cell_length_c [7.5229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaCuTeS]
_chemical_formula_sum '[La4 Cu4 Te4 S4]'
_cell_volume [379.6265]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.3570  0.0280  0.2247  1.0
  Cu  Cu1  4  0.0702  0.6579  0.0417  1.0
  Te  Te2  4  0.1229  0.1065  0.7786  1.0
  S  S3  4  0.4075  0.7286  0.9999  1.0
]