data_[Pr4Hg5Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8628]
_cell_length_b [3.8224]
_cell_length_c [9.7512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Hg5Ir2]
_chemical_formula_sum '[Pr4 Hg5 Ir2]'
_cell_volume [292.1125]
_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
[
  Pr  Pr0  2  0.1817  0.5000  0.8486  1
  Pr  Pr1  2  0.2201  0.5000  0.4396  1
  Hg  Hg2  2  0.1693  0.0000  0.1446  1
  Hg  Hg3  2  0.4555  0.0000  0.6708  1
  Hg  Hg4  1  0.5000  0.0000  0.0000  1
  Ir  Ir5  2  0.0764  0.0000  0.6397  1
]