data_[K6Ta2Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2831]
_cell_length_b [10.8749]
_cell_length_c [7.5233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ta(CrS3)2]
_chemical_formula_sum '[K6 Ta2 Cr4 S12]'
_cell_volume [493.7072]
_cell_formula_units_Z [2]
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
[
  K  K0  4  0.0000  0.1638  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  Cr  Cr3  4  0.0000  0.3331  0.0000  1
  S  S4  8  0.2329  0.1717  0.1834  1
  S  S5  4  0.2173  0.5000  0.1826  1
]