data_[Ta6Rh2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.7677]
_cell_length_b [5.7677]
_cell_length_c [12.1867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [182]
_chemical_formula_structural [Ta3RhS6]
_chemical_formula_sum '[Ta6 Rh2 S12]'
_cell_volume [351.0982]
_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
[
  Ta  Ta0  4  0.3333  0.6667  0.0026  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  2  0.3333  0.6667  0.7500  1.0
  S  S3  12  0.0034  0.3331  0.3707  1.0
]