data_[Cu4Te4S4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8527]
_cell_length_b [4.9771]
_cell_length_c [12.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuTeSCl]
_chemical_formula_sum '[Cu4 Te4 S4 Cl4]'
_cell_volume [435.2601]
_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
[
  Cu  Cu0  4  0.1827  0.1173  0.2521  1.0
  Te  Te1  4  0.2937  0.0233  0.6463  1.0
  S  S2  4  0.4077  0.6973  0.8281  1.0
  Cl  Cl3  4  0.0601  0.1760  0.8753  1.0
]