data_[K2Hf2Rh2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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/m]
_cell_length_a [8.4775]
_cell_length_b [3.6983]
_cell_length_c [9.2990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHfRhS3]
_chemical_formula_sum '[K2 Hf2 Rh2 S6]'
_cell_volume [273.5175]
_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  2  0.2155  0.2500  0.2462  1.0
  Hf  Hf1  2  0.3190  0.7500  0.8387  1.0
  Rh  Rh2  2  0.0966  0.2500  0.5946  1.0
  S  S3  2  0.1230  0.2500  0.8632  1.0
  S  S4  2  0.2394  0.7500  0.5517  1.0
  S  S5  2  0.4587  0.7500  0.1407  1.0
]