data_[Y24Si8Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5257]
_cell_length_b [9.6493]
_cell_length_c [10.4700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y6Si2Bi]
_chemical_formula_sum '[Y24 Si8 Bi4]'
_cell_volume [962.3579]
_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  0.2095  0.2424  1
  Y  Y1  8  0.2002  0.5000  0.1796  1
  Y  Y2  8  0.2203  0.6863  0.5000  1
  Si  Si3  4  0.0000  0.3713  0.0000  1
  Si  Si4  4  0.0000  0.5000  0.3850  1
  Bi  Bi5  2  0.0000  0.0000  0.0000  1
  Bi  Bi6  2  0.0000  0.0000  0.5000  1
]