data_[La10Pr2Hg4]
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 [Immm]
_cell_length_a [3.8074]
_cell_length_b [11.0698]
_cell_length_c [12.5612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La5PrHg2]
_chemical_formula_sum '[La10 Pr2 Hg4]'
_cell_volume [529.4237]
_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  8  0.0000  0.2182  0.3603  1.0
  La  La1  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0000  0.5000  0.2729  1.0
]