data_[Tl4Cr4Cu4Te8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  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 [Cmcm]
_cell_length_a [3.8377]
_cell_length_b [15.4445]
_cell_length_c [9.6991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlCrCuTe2S]
_chemical_formula_sum '[Tl4 Cr4 Cu4 Te8 S4]'
_cell_volume [574.8726]
_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
[
  Tl  Tl0  4  0.0000  0.2641  0.7500  1
  Cr  Cr1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4784  0.2500  1
  Te  Te3  8  0.0000  0.3747  0.0435  1
  S  S4  4  0.0000  0.0564  0.2500  1
]