data_[Pm4Sn5Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7735]
_cell_length_b [3.9636]
_cell_length_c [9.3301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4Sn5Ir2]
_chemical_formula_sum '[Pm4 Sn5 Ir2]'
_cell_volume [287.3196]
_cell_formula_units_Z [1]
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  2  0.2023  0.5000  0.8511  1
  Pm  Pm1  2  0.2237  0.5000  0.4205  1
  Sn  Sn2  2  0.1321  0.0000  0.1347  1
  Sn  Sn3  2  0.4427  0.0000  0.6616  1
  Sn  Sn4  1  0.5000  0.0000  0.0000  1
  Ir  Ir5  2  0.0822  0.0000  0.6311  1
]