data_[Pr4Zn2Hg5]
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/m]
_cell_length_a [8.0624]
_cell_length_b [3.8437]
_cell_length_c [9.6361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Zn2Hg5]
_chemical_formula_sum '[Pr4 Zn2 Hg5]'
_cell_volume [298.0503]
_cell_formula_units_Z [1]
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  0.2035  0.5000  0.1418  1.0
  Pr  Pr1  2  0.2565  0.5000  0.6090  1.0
  Zn  Zn2  2  0.0615  0.0000  0.3817  1.0
  Hg  Hg3  2  0.1339  0.0000  0.8691  1.0
  Hg  Hg4  2  0.4103  0.0000  0.3555  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]