data_[Y24Ni4Bi12]
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 [Cmc2_1]
_cell_length_a [11.6438]
_cell_length_b [14.6397]
_cell_length_c [7.4454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y6NiBi3]
_chemical_formula_sum '[Y24 Ni4 Bi12]'
_cell_volume [1269.1553]
_cell_formula_units_Z [4]
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  8  0.1541  0.2474  0.1680  1
  Y  Y1  8  0.1647  0.4585  0.6760  1
  Y  Y2  4  0.0000  0.0078  0.2508  1
  Y  Y3  4  0.0000  0.2425  0.6945  1
  Ni  Ni4  4  0.0000  0.1416  0.9935  1
  Bi  Bi5  8  0.1821  0.1081  0.4970  1
  Bi  Bi6  4  0.0000  0.3953  0.3647  1
]