data_[Pm4Pa4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pa  1.5000  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7617]
_cell_length_b [4.0301]
_cell_length_c [6.1552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmPaIr]
_chemical_formula_sum '[Pm4 Pa4 Ir4]'
_cell_volume [316.3958]
_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
[
  Pm  Pm0  4  0.1397  0.0000  0.2813  1
  Pa  Pa1  4  0.0876  0.5000  0.7174  1
  Ir  Ir2  4  0.2271  0.0000  0.8211  1
]