data_[Sm4Cd6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2863]
_cell_length_b [4.2972]
_cell_length_c [7.2919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Cd3Ir2]
_chemical_formula_sum '[Sm4 Cd6 Ir4]'
_cell_volume [318.6539]
_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  0.1253  0.5000  0.3601  1.0
  Cd  Cd1  4  0.1938  0.5000  0.8691  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0849  0.0000  0.6461  1.0
]