data_[Sm8Ga4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0830]
_cell_length_b [5.5652]
_cell_length_c [7.8358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2GaIr2]
_chemical_formula_sum '[Sm8 Ga4 Ir8]'
_cell_volume [427.0355]
_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  0.1456  0.3516  0.6477  1.0
  Ga  Ga1  4  0.0000  0.1286  0.2500  1.0
  Ir  Ir2  8  0.1357  0.1424  0.0080  1.0
]