data_[Sm4Si3Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9657]
_cell_length_b [4.3468]
_cell_length_c [10.8583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4Si3Ir]
_chemical_formula_sum '[Sm4 Si3 Ir1]'
_cell_volume [187.1795]
_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  0.8630  1.0
  Sm  Sm1  1  0.0000  0.5000  0.3567  1.0
  Sm  Sm2  1  0.5000  0.0000  0.1399  1.0
  Sm  Sm3  1  0.5000  0.5000  0.6451  1.0
  Si  Si4  1  0.0000  0.0000  0.5679  1.0
  Si  Si5  1  0.0000  0.5000  0.0704  1.0
  Si  Si6  1  0.5000  0.0000  0.4268  1.0
  Ir  Ir7  1  0.5000  0.5000  0.9302  1.0
]