data_[Pr8Ga8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2664]
_cell_length_b [4.6476]
_cell_length_c [11.0362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ga2Hg]
_chemical_formula_sum '[Pr8 Ga8 Hg4]'
_cell_volume [510.8036]
_cell_formula_units_Z [4]
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  0.0098  0.0000  0.3255  1.0
  Pr  Pr1  4  0.1818  0.0000  0.0959  1.0
  Ga  Ga2  4  0.0245  0.5000  0.8905  1.0
  Ga  Ga3  4  0.1316  0.5000  0.5621  1.0
  Hg  Hg4  4  0.2244  0.5000  0.3459  1.0
]