data_[Pr4Ga2Hg5]
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 [P2/m]
_cell_length_a [8.0057]
_cell_length_b [3.9344]
_cell_length_c [9.5300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Ga2Hg5]
_chemical_formula_sum '[Pr4 Ga2 Hg5]'
_cell_volume [300.1362]
_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  0.1992  0.5000  0.1431  1.0
  Pr  Pr1  2  0.2484  0.5000  0.5932  1.0
  Ga  Ga2  2  0.0629  0.0000  0.3765  1.0
  Hg  Hg3  2  0.1406  0.0000  0.8703  1.0
  Hg  Hg4  2  0.4289  0.0000  0.3426  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]