data_[Y4Ni3Bi8]
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 [P-4m2]
_cell_length_a [4.5469]
_cell_length_b [4.5469]
_cell_length_c [18.7306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Y4Ni3Bi8]
_chemical_formula_sum '[Y4 Ni3 Bi8]'
_cell_volume [387.2423]
_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
[
  Y  Y0  2  0.0000  0.5000  0.1114  1
  Y  Y1  2  0.0000  0.5000  0.6135  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  Ni  Ni3  1  0.0000  0.0000  0.5000  1
  Ni  Ni4  1  0.5000  0.5000  0.5000  1
  Bi  Bi5  2  0.0000  0.0000  0.2489  1
  Bi  Bi6  2  0.0000  0.5000  0.4243  1
  Bi  Bi7  2  0.0000  0.5000  0.9296  1
  Bi  Bi8  2  0.5000  0.5000  0.2491  1
]