data_[Ba2Li1Pr1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9985]
_cell_length_b [7.3229]
_cell_length_c [8.1169]
_cell_angle_alpha [84.4653]
_cell_angle_beta [64.7065]
_cell_angle_gamma [62.5140]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2LiPrHg6]
_chemical_formula_sum '[Ba2 Li1 Pr1 Hg6]'
_cell_volume [331.0116]
_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
[
  Ba  Ba0  2  0.4393  0.8216  0.2700  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Pr  Pr2  1  0.0000  0.5000  0.5000  1
  Hg  Hg3  2  0.0784  0.6144  0.1031  1
  Hg  Hg4  2  0.1021  0.7484  0.7097  1
  Hg  Hg5  2  0.4832  0.7217  0.8196  1
]