data_[Rb3Ni12Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1325]
_cell_length_b [4.1325]
_cell_length_c [30.4683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb(Ni2Bi)2]
_chemical_formula_sum '[Rb3 Ni12 Bi6]'
_cell_volume [450.6207]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  6  0.0000  0.0000  0.1530  1.0
  Ni  Ni2  6  0.0000  0.0000  0.4619  1.0
  Bi  Bi3  6  0.0000  0.0000  0.2402  1.0
]