data_[Sm12Co2Ir4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9794]
_cell_length_b [12.1052]
_cell_length_c [7.8193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6CoIr2Cl3]
_chemical_formula_sum '[Sm12 Co2 Ir4 Cl6]'
_cell_volume [631.1902]
_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  0.2281  0.1614  0.2016  1.0
  Sm  Sm1  4  0.2436  0.5000  0.2021  1.0
  Co  Co2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0000  0.3330  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1612  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]