data_[Pr12Zn2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6155]
_cell_length_b [8.5971]
_cell_length_c [11.4143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6ZnHg2]
_chemical_formula_sum '[Pr12 Zn2 Hg4]'
_cell_volume [568.7256]
_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  0.0790  0.0607  0.2315  1
  Pr  Pr1  4  0.1831  0.7095  0.0660  1
  Pr  Pr2  4  0.4008  0.1587  0.0452  1
  Zn  Zn3  2  0.5000  0.0000  0.5000  1
  Hg  Hg4  4  0.3248  0.1097  0.7325  1
]