data_[Cs4Ta4Cu4Te4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  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 [3.6963]
_cell_length_b [17.0478]
_cell_length_c [10.1274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsTaCuTeS2]
_chemical_formula_sum '[Cs4 Ta4 Cu4 Te4 S8]'
_cell_volume [638.1599]
_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
[
  Cs  Cs0  4  0.0000  0.2194  0.2500  1
  Ta  Ta1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4749  0.7500  1
  Te  Te3  4  0.0000  0.0826  0.7500  1
  S  S4  8  0.0000  0.4056  0.5594  1
]