data_[La8Pm4Ir8]
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 [Cmc2_1]
_cell_length_a [4.8438]
_cell_length_b [15.0380]
_cell_length_c [7.4526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2PmIr2]
_chemical_formula_sum '[La8 Pm4 Ir8]'
_cell_volume [542.8504]
_cell_formula_units_Z [4]
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  0.0735  0.1701  1
  La  La1  4  0.0000  0.2453  0.8278  1
  Pm  Pm2  4  0.0000  0.4239  0.1363  1
  Ir  Ir3  4  0.0000  0.1607  0.4990  1
  Ir  Ir4  4  0.0000  0.3564  0.5008  1
]