data_[La4Pm12Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4871]
_cell_length_b [17.6596]
_cell_length_c [3.7742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La2Pm6Ir]
_chemical_formula_sum '[La4 Pm12 Ir2]'
_cell_volume [632.3171]
_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
[
  La  La0  4  0.0000  0.3312  0.5000  1
  Pm  Pm1  8  0.1656  0.8334  0.0000  1
  Pm  Pm2  4  0.2127  0.0000  0.5000  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]