data_[Sm12Ir4Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1227]
_cell_length_b [12.3028]
_cell_length_c [7.6096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ir2AuSe3]
_chemical_formula_sum '[Sm12 Ir4 Au2 Se6]'
_cell_volume [633.9908]
_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  8  0.2441  0.3221  0.7665  1.0
  Sm  Sm1  4  0.2222  0.5000  0.2312  1.0
  Ir  Ir2  4  0.0000  0.3327  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0000  0.1615  0.5000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]