data_[Pm4B4P4Ir24]
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
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.6232]
_cell_length_b [8.2870]
_cell_length_c [11.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PmBPIr6]
_chemical_formula_sum '[Pm4 B4 P4 Ir24]'
_cell_volume [611.0872]
_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  0.0000  0.2500  0.6827  1
  B  B1  4  0.0000  0.0000  0.0000  1
  P  P2  4  0.2500  0.2500  0.2500  1
  Ir  Ir3  16  0.2192  0.0259  0.1274  1
  Ir  Ir4  4  0.0000  0.2500  0.3984  1
  Ir  Ir5  4  0.0000  0.2500  0.9536  1
]