data_[Bi6Ru1Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9051]
_cell_length_b [6.6010]
_cell_length_c [6.9523]
_cell_angle_alpha [70.0535]
_cell_angle_beta [67.8323]
_cell_angle_gamma [66.1567]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Bi6RuRh]
_chemical_formula_sum '[Bi6 Ru1 Rh1]'
_cell_volume [223.7859]
_cell_formula_units_Z [1]
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
[
  Bi  Bi0  2  0.0256  0.7878  0.7062  1
  Bi  Bi1  2  0.2758  0.5807  0.1898  1
  Bi  Bi2  2  0.4168  0.0967  0.7079  1
  Ru  Ru3  1  0.0000  0.0000  0.0000  1
  Rh  Rh4  1  0.5000  0.5000  0.5000  1
]