data_[La6Pr12Hg2]
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 [P2_1/m]
_cell_length_a [12.0535]
_cell_length_b [3.6966]
_cell_length_c [16.1547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3Pr6Hg]
_chemical_formula_sum '[La6 Pr12 Hg2]'
_cell_volume [719.7778]
_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  2  0.1224  0.2500  0.5474  1
  La  La1  2  0.1279  0.2500  0.1605  1
  La  La2  2  0.3830  0.7500  0.2379  1
  Pr  Pr3  2  0.1264  0.7500  0.9609  1
  Pr  Pr4  2  0.1280  0.7500  0.3556  1
  Pr  Pr5  2  0.1281  0.2500  0.7674  1
  Pr  Pr6  2  0.3747  0.7500  0.8255  1
  Pr  Pr7  2  0.3759  0.2500  0.0340  1
  Pr  Pr8  2  0.3774  0.7500  0.4817  1
  Hg  Hg9  2  0.3770  0.2500  0.6517  1
]