data_[Pr6Hg4Pd14]
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 [Cmmm]
_cell_length_a [4.2423]
_cell_length_b [29.8676]
_cell_length_c [4.0983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr3Hg2Pd7]
_chemical_formula_sum '[Pr6 Hg4 Pd14]'
_cell_volume [519.2897]
_cell_formula_units_Z [2]
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  4  0.0000  0.1885  0.0000  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Hg  Hg2  4  0.0000  0.3678  0.5000  1
  Pd  Pd3  4  0.0000  0.0714  0.5000  1
  Pd  Pd4  4  0.0000  0.2768  0.5000  1
  Pd  Pd5  4  0.0000  0.4292  0.0000  1
  Pd  Pd6  2  0.0000  0.0000  0.0000  1
]