data_[Hf4Th4As8Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.6792]
_cell_length_b [4.1328]
_cell_length_c [14.1058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HfTh(AsRh)2]
_chemical_formula_sum '[Hf4 Th4 As8 Rh8]'
_cell_volume [500.0969]
_cell_formula_units_Z [4]
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
[
  Th  Th0  1  0.0014  0.0000  0.6274  1
  Hf  Hf1  1  0.1487  0.5000  0.4469  1
  Th  Th2  1  0.3607  0.0000  0.1518  1
  Hf  Hf3  1  0.4267  0.5000  0.8701  1
  Hf  Hf4  1  0.5914  0.0000  0.6169  1
  Hf  Hf5  1  0.6342  0.5000  0.3122  1
  Th  Th6  1  0.8173  0.0000  0.1416  1
  Th  Th7  1  0.8983  0.5000  0.8980  1
  As  As8  1  0.0733  0.0000  0.0181  1
  As  As9  1  0.1431  0.5000  0.7706  1
  As  As10  1  0.3017  0.0000  0.5442  1
  As  As11  1  0.3074  0.5000  0.2974  1
  As  As12  1  0.5334  0.0000  0.9781  1
  As  As13  1  0.6056  0.5000  0.7319  1
  As  As14  1  0.6828  0.0000  0.4514  1
  As  As15  1  0.9485  0.5000  0.2827  1
  Rh  Rh16  1  0.0718  0.5000  0.1291  1
  Rh  Rh17  1  0.2194  0.0000  0.8785  1
  Rh  Rh18  1  0.3217  0.5000  0.6454  1
  Rh  Rh19  1  0.4081  0.0000  0.3825  1
  Rh  Rh20  1  0.5761  0.5000  0.1077  1
  Rh  Rh21  1  0.6718  0.0000  0.8333  1
  Rh  Rh22  1  0.8444  0.5000  0.5066  1
  Rh  Rh23  1  0.9121  0.0000  0.3775  1
]