data_[Ta1Cr3Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9109]
_cell_length_b [3.4404]
_cell_length_c [11.4756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaCr3(CuS4)2]
_chemical_formula_sum '[Ta1 Cr3 Cu2 S8]'
_cell_volume [233.3635]
_cell_formula_units_Z [1]
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
[
  Ta  Ta0  1  0.5283  0.5000  0.7463  1
  Cr  Cr1  1  0.0176  0.0000  0.2397  1
  Cr  Cr2  1  0.4868  0.5000  0.2604  1
  Cr  Cr3  1  0.9689  0.0000  0.7541  1
  Cu  Cu4  1  0.0086  0.0000  0.4938  1
  Cu  Cu5  1  0.5041  0.5000  0.0061  1
  S  S6  1  0.1501  0.5000  0.6387  1
  S  S7  1  0.1744  0.5000  0.1278  1
  S  S8  1  0.3218  0.0000  0.8662  1
  S  S9  1  0.3320  0.0000  0.3730  1
  S  S10  1  0.6621  0.0000  0.1389  1
  S  S11  1  0.6659  0.0000  0.6126  1
  S  S12  1  0.8368  0.5000  0.8826  1
  S  S13  1  0.8428  0.5000  0.3598  1
]