data_[Ta3Cr9Cu6S24]
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 [R-3m]
_cell_length_a [7.1402]
_cell_length_b [7.1402]
_cell_length_c [16.8752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TaCr3(CuS4)2]
_chemical_formula_sum '[Ta3 Cr9 Cu6 S24]'
_cell_volume [745.0756]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1.0
  Cr  Cr1  9  0.0000  0.5000  0.0000  1.0
  Cu  Cu2  6  0.0000  0.0000  0.1258  1.0
  S  S3  18  0.0140  0.5070  0.2537  1.0
  S  S4  6  0.0000  0.0000  0.2596  1.0
]