data_[Y32Ru8Br40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2/nnm]
_cell_length_a [11.7405]
_cell_length_b [11.7405]
_cell_length_c [17.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [134]
_chemical_formula_structural [Y4RuBr5]
_chemical_formula_sum '[Y32 Ru8 Br40]'
_cell_volume [2355.4128]
_cell_formula_units_Z [8]
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  16  0.1170  0.3309  0.5767  1
  Y  Y1  8  0.1134  0.1134  0.7288  1
  Y  Y2  8  0.1322  0.1322  0.4065  1
  Ru  Ru3  8  0.1031  0.1031  0.5705  1
  Br  Br4  16  0.0993  0.3744  0.0891  1
  Br  Br5  8  0.1276  0.1276  0.2289  1
  Br  Br6  8  0.1308  0.3692  0.7500  1
  Br  Br7  8  0.1381  0.1381  0.9111  1
]