data_[Pr4Hg1Pd3]
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 [Pmm2]
_cell_length_a [3.9272]
_cell_length_b [4.7562]
_cell_length_c [11.2601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr4HgPd3]
_chemical_formula_sum '[Pr4 Hg1 Pd3]'
_cell_volume [210.3229]
_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  1  0.0000  0.0000  0.1448  1
  Pr  Pr1  1  0.0000  0.5000  0.8504  1
  Pr  Pr2  1  0.5000  0.0000  0.6352  1
  Pr  Pr3  1  0.5000  0.5000  0.3738  1
  Hg  Hg4  1  0.5000  0.5000  0.0801  1
  Pd  Pd5  1  0.0000  0.0000  0.4185  1
  Pd  Pd6  1  0.0000  0.5000  0.5842  1
  Pd  Pd7  1  0.5000  0.0000  0.9129  1
]