data_[La16Nd2Hg4]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0864]
_cell_length_b [15.2570]
_cell_length_c [5.9633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8NdHg2]
_chemical_formula_sum '[La16 Nd2 Hg4]'
_cell_volume [773.4410]
_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  0.1960  0.1098  0.0957  1.0
  La  La1  4  0.0000  0.2286  0.5000  1.0
  La  La2  4  0.1025  0.5000  0.3062  1.0
  Nd  Nd3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.0000  0.3068  0.0000  1.0
]