data_[Sm20Bi8Ir4]
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 [Cmcm]
_cell_length_a [5.9927]
_cell_length_b [9.8797]
_cell_length_c [16.5875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm5Bi2Ir]
_chemical_formula_sum '[Sm20 Bi8 Ir4]'
_cell_volume [982.0904]
_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
[
  Sm  Sm0  8  0.0000  0.0950  0.1334  1
  Sm  Sm1  8  0.0000  0.4297  0.1030  1
  Sm  Sm2  4  0.0000  0.2438  0.7500  1
  Bi  Bi3  8  0.0000  0.2314  0.5579  1
  Ir  Ir4  4  0.0000  0.3008  0.2500  1
]