data_[Y24Al8Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.6138]
_cell_length_b [9.8137]
_cell_length_c [10.9575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y6Al2Bi]
_chemical_formula_sum '[Y24 Al8 Bi4]'
_cell_volume [1033.7986]
_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  0.0000  0.3000  0.3201  1
  Y  Y1  8  0.1867  0.2786  0.0000  1
  Y  Y2  8  0.2044  0.0000  0.2411  1
  Al  Al3  4  0.0000  0.5000  0.1180  1
  Al  Al4  4  0.1420  0.5000  0.5000  1
  Bi  Bi5  2  0.0000  0.0000  0.0000  1
  Bi  Bi6  2  0.0000  0.0000  0.5000  1
]