data_[La4Pr12Hg4]
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 [Amm2]
_cell_length_a [12.2837]
_cell_length_b [3.8726]
_cell_length_c [14.5473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaPr3Hg]
_chemical_formula_sum '[La4 Pr12 Hg4]'
_cell_volume [692.0118]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.6897  1
  La  La1  2  0.5000  0.0000  0.3492  1
  Pr  Pr2  4  0.1555  0.0000  0.3374  1
  Pr  Pr3  4  0.2741  0.0000  0.6434  1
  Pr  Pr4  2  0.0000  0.0000  0.0024  1
  Pr  Pr5  2  0.5000  0.0000  0.0871  1
  Hg  Hg6  4  0.3021  0.0000  0.9542  1
]