data_[Pm12Bi8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1056]
_cell_length_b [6.4273]
_cell_length_c [8.6561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pm3Bi2Ir]
_chemical_formula_sum '[Pm12 Bi8 Ir4]'
_cell_volume [746.9351]
_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  8  0.1462  0.0004  0.5730  1
  Pm  Pm1  4  0.0000  0.3990  0.7500  1
  Bi  Bi2  8  0.1711  0.4996  0.0855  1
  Ir  Ir3  4  0.0000  0.0370  0.2500  1
]