data_[Pr16Ga2Hg4]
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 [19.1519]
_cell_length_b [5.3826]
_cell_length_c [7.1605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8GaHg2]
_chemical_formula_sum '[Pr16 Ga2 Hg4]'
_cell_volume [699.7923]
_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  0.0136  0.0000  0.7724  1.0
  Pr  Pr1  4  0.0895  0.5000  0.4606  1.0
  Pr  Pr2  4  0.1637  0.5000  0.9854  1.0
  Pr  Pr3  4  0.1989  0.0000  0.3227  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1738  0.0000  0.7302  1.0
]