data_[Pr12Hg2Pb10]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.2021]
_cell_length_b [15.6080]
_cell_length_c [9.0196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr6HgPb5]
_chemical_formula_sum '[Pr12 Hg2 Pb10]'
_cell_volume [732.3435]
_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  8  0.0000  0.1660  0.2456  1
  Pr  Pr1  4  0.0000  0.5000  0.2453  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Pb  Pb3  4  0.0000  0.3325  0.5000  1
  Pb  Pb4  4  0.0000  0.3365  0.0000  1
  Pb  Pb5  2  0.0000  0.0000  0.5000  1
]