data_[Sm10Bi8Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.9527]
_cell_length_b [9.9527]
_cell_length_c [6.3972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Sm5Bi4Ru]
_chemical_formula_sum '[Sm10 Bi8 Ru2]'
_cell_volume [633.6895]
_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
[
  Sm  Sm0  8  0.0932  0.7311  0.0164  1
  Sm  Sm1  2  0.0000  0.0000  0.4076  1
  Bi  Bi2  8  0.0874  0.6975  0.5174  1
  Ru  Ru3  2  0.0000  0.0000  0.9672  1
]