data_[Sm4Ge6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7212]
_cell_length_b [4.3973]
_cell_length_c [7.0801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm2Ge3Ir]
_chemical_formula_sum '[Sm4 Ge6 Ir2]'
_cell_volume [253.5486]
_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  2  0.0652  0.5000  0.3139  1
  Sm  Sm1  2  0.4521  0.0000  0.7151  1
  Ge  Ge2  2  0.1283  0.0000  0.6593  1
  Ge  Ge3  2  0.1952  0.0000  0.1266  1
  Ge  Ge4  2  0.3259  0.5000  0.9079  1
  Ir  Ir5  2  0.3332  0.5000  0.2771  1
]