data_[Pr4Hg5Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9061]
_cell_length_b [3.8913]
_cell_length_c [9.6031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Hg5Pd2]
_chemical_formula_sum '[Pr4 Hg5 Pd2]'
_cell_volume [294.4563]
_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  0.1818  0.5000  0.8589  1.0
  Pr  Pr1  2  0.2357  0.5000  0.4329  1.0
  Hg  Hg2  2  0.1657  0.0000  0.1449  1.0
  Hg  Hg3  2  0.4490  0.0000  0.6763  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd5  2  0.0734  0.0000  0.6350  1.0
]