data_[Y14Sn4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.7281]
_cell_length_b [11.0288]
_cell_length_c [7.4240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y7(SnBi)2]
_chemical_formula_sum '[Y14 Sn4 Bi4]'
_cell_volume [714.6405]
_cell_formula_units_Z [2]
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  0.2500  0.2500  0.2839  1
  Y  Y1  4  0.0000  0.5000  0.2725  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Sn  Sn3  4  0.1795  0.0000  0.5000  1
  Bi  Bi4  4  0.0000  0.2821  0.0000  1
]