data_[Ce10Sm2Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0022]
_cell_length_b [12.1388]
_cell_length_c [6.9932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5SmIr6]
_chemical_formula_sum '[Ce10 Sm2 Ir12]'
_cell_volume [560.3505]
_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
[
  Ce  Ce0  4  0.0000  0.1662  0.5000  1
  Ce  Ce1  4  0.0000  0.3331  0.0000  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  8  0.2443  0.3289  0.7468  1
  Ir  Ir5  4  0.2436  0.5000  0.2565  1
]