data_[Y4Sc8Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6595]
_cell_length_b [6.1541]
_cell_length_c [13.0386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YSc2Bi3]
_chemical_formula_sum '[Y4 Sc8 Bi12]'
_cell_volume [694.8500]
_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  4  0.1261  0.7500  0.0784  1
  Sc  Sc1  4  0.1251  0.7500  0.4144  1
  Sc  Sc2  4  0.1255  0.7500  0.7565  1
  Bi  Bi3  4  0.1131  0.2500  0.4120  1
  Bi  Bi4  4  0.1246  0.2500  0.7507  1
  Bi  Bi5  4  0.1363  0.2500  0.0874  1
]