data_[Y8Ni2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1400]
_cell_length_b [6.6669]
_cell_length_c [8.6920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y4NiBi]
_chemical_formula_sum '[Y8 Ni2 Bi2]'
_cell_volume [334.4033]
_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
[
  Y  Y0  4  0.0135  0.5007  0.7040  1
  Y  Y1  2  0.4033  0.7500  0.1311  1
  Y  Y2  2  0.4401  0.7500  0.5838  1
  Ni  Ni3  2  0.2470  0.2500  0.5637  1
  Bi  Bi4  2  0.2108  0.2500  0.0489  1
]