data_[Y10Si2Bi8]
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 [I4/m]
_cell_length_a [9.8827]
_cell_length_b [9.8827]
_cell_length_c [6.2462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Y5SiBi4]
_chemical_formula_sum '[Y10 Si2 Bi8]'
_cell_volume [610.0479]
_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  0.0973  0.7205  0.5000  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  8  0.0921  0.6950  0.0000  1.0
]