data_[Hf12Rh4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8360]
_cell_length_b [6.6174]
_cell_length_c [10.7658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Rh2S]
_chemical_formula_sum '[Hf12 Rh4 S2]'
_cell_volume [358.7370]
_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
[
  Hf  Hf0  4  0.0813  0.1987  0.4349  1.0
  Hf  Hf1  4  0.2794  0.6592  0.4425  1.0
  Hf  Hf2  4  0.4032  0.0376  0.2419  1.0
  Rh  Rh3  4  0.1584  0.1162  0.7376  1.0
  S  S4  2  0.5000  0.0000  0.5000  1.0
]