data_[Cu8Te4As4S24]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2317]
_cell_length_b [11.7225]
_cell_length_c [6.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2TeAsS6]
_chemical_formula_sum '[Cu8 Te4 As4 S24]'
_cell_volume [873.9657]
_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  8  0.1683  0.3975  0.7723  1.0
  Te  Te1  4  0.0000  0.2423  0.2500  1.0
  As  As2  4  0.0000  0.1035  0.7500  1.0
  S  S3  8  0.0861  0.4693  0.0434  1.0
  S  S4  8  0.1312  0.1018  0.1064  1.0
  S  S5  8  0.1357  0.2220  0.6177  1.0
]