data_[Pr12Ni2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6012]
_cell_length_b [7.9228]
_cell_length_c [12.2615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6NiHg2]
_chemical_formula_sum '[Pr12 Ni2 Hg4]'
_cell_volume [562.5867]
_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  0.1258  0.2033  0.4570  1.0
  Pr  Pr1  4  0.2925  0.6671  0.4539  1.0
  Pr  Pr2  4  0.3717  0.0213  0.2515  1.0
  Ni  Ni3  2  0.5000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.1505  0.1043  0.7327  1.0
]