data_[La2Pr8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3913]
_cell_length_b [8.4657]
_cell_length_c [9.1903]
_cell_angle_alpha [98.5065]
_cell_angle_beta [103.7152]
_cell_angle_gamma [106.1488]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La(Pr2Hg)2]
_chemical_formula_sum '[La2 Pr8 Hg4]'
_cell_volume [451.6651]
_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
[
  La  La0  1  0.2061  0.8076  0.3733  1
  La  La1  1  0.8290  0.9118  0.0647  1
  Pr  Pr2  1  0.1747  0.6375  0.9294  1
  Pr  Pr3  1  0.3771  0.1224  0.0609  1
  Pr  Pr4  1  0.3858  0.2666  0.4541  1
  Pr  Pr5  1  0.5585  0.6756  0.6779  1
  Pr  Pr6  1  0.6133  0.6054  0.2960  1
  Pr  Pr7  1  0.6670  0.1486  0.7787  1
  Pr  Pr8  1  0.8083  0.0633  0.4447  1
  Pr  Pr9  1  0.9922  0.3583  0.1869  1
  Hg  Hg10  1  0.0870  0.8914  0.7099  1
  Hg  Hg11  1  0.1930  0.2834  0.7685  1
  Hg  Hg12  1  0.6637  0.5018  0.9616  1
  Hg  Hg13  1  0.9442  0.4763  0.5433  1
]