data_[Pm2B2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9874]
_cell_length_b [3.9874]
_cell_length_c [8.6163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [PmBIr2]
_chemical_formula_sum '[Pm2 B2 Ir4]'
_cell_volume [136.9930]
_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
[
  Pm  Pm0  2  0.0000  0.5000  0.7912  1
  B  B1  2  0.0000  0.5000  0.3907  1
  Ir  Ir2  2  0.0000  0.0000  0.5000  1
  Ir  Ir3  2  0.0000  0.5000  0.1472  1
]