data_[Sm1Ga6Ir4]
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 [P-6m2]
_cell_length_a [7.4554]
_cell_length_b [7.4554]
_cell_length_c [3.8889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sm(Ga3Ir2)2]
_chemical_formula_sum '[Sm1 Ga6 Ir4]'
_cell_volume [187.1991]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  3  0.0634  0.5317  0.0000  1.0
  Ga  Ga2  3  0.3851  0.1925  0.5000  1.0
  Ir  Ir3  3  0.2027  0.4055  0.5000  1.0
  Ir  Ir4  1  0.6667  0.3333  0.0000  1.0
]