data_[Sm4Ga3Ir1]
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 [Pmm2]
_cell_length_a [4.2885]
_cell_length_b [4.2916]
_cell_length_c [10.7074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4Ga3Ir]
_chemical_formula_sum '[Sm4 Ga3 Ir1]'
_cell_volume [197.0621]
_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  0.1393  1.0
  Sm  Sm1  1  0.0000  0.5000  0.8690  1.0
  Sm  Sm2  1  0.5000  0.0000  0.6432  1.0
  Sm  Sm3  1  0.5000  0.5000  0.3461  1.0
  Ga  Ga4  1  0.0000  0.0000  0.4271  1.0
  Ga  Ga5  1  0.0000  0.5000  0.5728  1.0
  Ga  Ga6  1  0.5000  0.0000  0.9299  1.0
  Ir  Ir7  1  0.5000  0.5000  0.0726  1.0
]