data_[Pr2Zn6Hg2]
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/m]
_cell_length_a [6.2001]
_cell_length_b [6.1007]
_cell_length_c [6.2176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrZn3Hg]
_chemical_formula_sum '[Pr2 Zn6 Hg2]'
_cell_volume [208.0002]
_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  2  0.2682  0.2500  0.2308  1.0
  Zn  Zn1  4  0.2029  0.0083  0.6966  1.0
  Zn  Zn2  2  0.1533  0.7500  0.3568  1.0
  Hg  Hg3  2  0.3826  0.7500  0.0944  1.0
]