data_[La2Nd1In3Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3530]
_cell_length_b [4.3530]
_cell_length_c [20.5521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La2Nd(InHg2)3]
_chemical_formula_sum '[La2 Nd1 In3 Hg6]'
_cell_volume [389.4313]
_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  2  0.5000  0.5000  0.2159  1
  Nd  Nd1  1  0.5000  0.5000  0.5000  1
  In  In2  2  0.0000  0.0000  0.2810  1
  In  In3  1  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.0000  0.5000  0.3848  1
  Hg  Hg5  2  0.0000  0.0000  0.1361  1
]