data_[Y14Bi4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9845]
_cell_length_b [16.3848]
_cell_length_c [9.3984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y7(BiRu)2]
_chemical_formula_sum '[Y14 Bi4 Ru4]'
_cell_volume [613.5736]
_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  4  0.0000  0.1566  0.2640  1.0
  Y  Y1  4  0.0000  0.1833  0.9004  1.0
  Y  Y2  4  0.0000  0.3677  0.1051  1.0
  Y  Y3  2  0.0000  0.5000  0.5209  1.0
  Bi  Bi4  2  0.0000  0.0000  0.7620  1.0
  Bi  Bi5  2  0.0000  0.5000  0.8526  1.0
  Ru  Ru6  4  0.0000  0.2579  0.5898  1.0
]