data_[Hf4Zr4As8Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.1279]
_cell_length_b [4.0489]
_cell_length_c [13.0142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HfZr(AsRh)2]
_chemical_formula_sum '[Hf4 Zr4 As8 Rh8]'
_cell_volume [455.1131]
_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
[
  Hf  Hf0  1  0.0694  0.0000  0.5860  1
  Hf  Hf1  1  0.1929  0.5000  0.3866  1
  Hf  Hf2  1  0.3859  0.5000  0.9023  1
  Hf  Hf3  1  0.6481  0.5000  0.3533  1
  Zr  Zr4  1  0.3104  0.0000  0.0906  1
  Zr  Zr5  1  0.6103  0.0000  0.6529  1
  Zr  Zr6  1  0.8587  0.0000  0.1339  1
  Zr  Zr7  1  0.8902  0.5000  0.8317  1
  As  As8  1  0.0006  0.0000  0.9838  1
  As  As9  1  0.1156  0.5000  0.7347  1
  As  As10  1  0.3266  0.0000  0.5184  1
  As  As11  1  0.3411  0.5000  0.2369  1
  As  As12  1  0.5639  0.0000  0.0254  1
  As  As13  1  0.5675  0.5000  0.7806  1
  As  As14  1  0.7317  0.0000  0.4964  1
  As  As15  1  0.8891  0.5000  0.2709  1
  Rh  Rh16  1  0.0559  0.5000  0.1371  1
  Rh  Rh17  1  0.1687  0.0000  0.8648  1
  Rh  Rh18  1  0.3030  0.5000  0.6301  1
  Rh  Rh19  1  0.4404  0.0000  0.3676  1
  Rh  Rh20  1  0.5711  0.5000  0.1423  1
  Rh  Rh21  1  0.7102  0.0000  0.8897  1
  Rh  Rh22  1  0.8465  0.5000  0.6017  1
  Rh  Rh23  1  0.9022  0.0000  0.3824  1
]