data_[La1Pr1Al1Hg1]
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
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7397]
_cell_length_b [3.7397]
_cell_length_c [8.0455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaPrAlHg]
_chemical_formula_sum '[La1 Pr1 Al1 Hg1]'
_cell_volume [112.5208]
_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
[
  La  La0  1  0.5000  0.5000  0.1187  1.0
  Pr  Pr1  1  0.5000  0.5000  0.5983  1.0
  Al  Al2  1  0.0000  0.0000  0.3616  1.0
  Hg  Hg3  1  0.0000  0.0000  0.8494  1.0
]