data_[Ni2Bi12Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2191]
_cell_length_b [11.5766]
_cell_length_c [8.9930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NiBi6Rh]
_chemical_formula_sum '[Ni2 Bi12 Rh2]'
_cell_volume [439.2469]
_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
[
  Ni  Ni0  2  0.5000  0.2707  0.9007  1.0
  Bi  Bi1  2  0.0000  0.1412  0.7992  1.0
  Bi  Bi2  2  0.0000  0.1511  0.3854  1.0
  Bi  Bi3  2  0.0000  0.4268  0.9079  1.0
  Bi  Bi4  2  0.5000  0.0702  0.0935  1.0
  Bi  Bi5  2  0.5000  0.3480  0.6158  1.0
  Bi  Bi6  2  0.5000  0.3622  0.2051  1.0
  Rh  Rh7  2  0.0000  0.2300  0.0924  1.0
]