data_[Sm2Ga4Ir3Au1]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1774]
_cell_length_b [4.1774]
_cell_length_c [10.8737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Sm2Ga4Ir3Au]
_chemical_formula_sum '[Sm2 Ga4 Ir3 Au1]'
_cell_volume [189.7565]
_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  2  0.0000  0.5000  0.7571  1.0
  Ga  Ga1  2  0.0000  0.5000  0.3620  1.0
  Ga  Ga2  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  1  0.5000  0.5000  0.0000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.1344  1.0
  Ir  Ir5  1  0.0000  0.0000  0.5000  1.0
  Au  Au6  1  0.5000  0.5000  0.5000  1.0
]