data_[Y16Bi4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0936]
_cell_length_b [13.5839]
_cell_length_c [6.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4BiIr]
_chemical_formula_sum '[Y16 Bi4 Ir4]'
_cell_volume [690.3202]
_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  0.1112  0.1710  0.5724  1.0
  Y  Y1  8  0.2234  0.4284  0.8406  1.0
  Bi  Bi2  4  0.0000  0.3732  0.2500  1.0
  Ir  Ir3  4  0.0000  0.0000  0.2500  1.0
]