data_[Pr2Sm4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7045]
_cell_length_b [4.4696]
_cell_length_c [10.7082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(SmIr)2]
_chemical_formula_sum '[Pr2 Sm4 Ir4]'
_cell_volume [270.3719]
_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
[
  Pr  Pr0  2  0.4470  0.2500  0.2123  1.0
  Sm  Sm1  2  0.1159  0.2500  0.8870  1.0
  Sm  Sm2  2  0.2310  0.7500  0.4681  1.0
  Ir  Ir3  2  0.3018  0.2500  0.6360  1.0
  Ir  Ir4  2  0.3430  0.7500  0.0315  1.0
]