data_[Sm10Bi8Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.9660]
_cell_length_b [9.9660]
_cell_length_c [6.4090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Sm5Bi4Ir]
_chemical_formula_sum '[Sm10 Bi8 Ir2]'
_cell_volume [636.5484]
_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  0.0953  0.2781  0.9839  1
  Sm  Sm1  2  0.0000  0.0000  0.5945  1
  Bi  Bi2  8  0.0903  0.2999  0.4826  1
  Ir  Ir3  2  0.0000  0.0000  0.0290  1
]