data_[Sm6Si8Ir4]
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 [C2/m]
_cell_length_a [11.0957]
_cell_length_b [4.1730]
_cell_length_c [8.1309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(Si2Ir)2]
_chemical_formula_sum '[Sm6 Si8 Ir4]'
_cell_volume [355.9111]
_cell_formula_units_Z [2]
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  4  0.1119  0.5000  0.6958  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.1034  0.0000  0.4010  1.0
  Si  Si3  4  0.2204  0.5000  0.0756  1.0
  Ir  Ir4  4  0.1929  0.5000  0.3597  1.0
]