data_[Sm6Bi2Ir2]
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 [Pmmn]
_cell_length_a [4.4699]
_cell_length_b [6.9862]
_cell_length_c [9.5639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sm3BiIr]
_chemical_formula_sum '[Sm6 Bi2 Ir2]'
_cell_volume [298.6579]
_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  4  0.0000  0.2458  0.3513  1.0
  Sm  Sm1  2  0.0000  0.0000  0.9087  1.0
  Bi  Bi2  2  0.0000  0.5000  0.8547  1.0
  Ir  Ir3  2  0.0000  0.0000  0.6012  1.0
]