data_[Li14Nd2Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [13.5175]
_cell_length_b [5.0616]
_cell_length_c [9.1649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7NdHg4]
_chemical_formula_sum '[Li14 Nd2 Hg8]'
_cell_volume [491.6733]
_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
[
  Li  Li0  4  0.0495  0.0000  0.4017  1
  Li  Li1  4  0.1776  0.5000  0.6226  1
  Li  Li2  4  0.2163  0.0000  0.8677  1
  Li  Li3  2  0.0000  0.5000  0.0000  1
  Nd  Nd4  2  0.0000  0.0000  0.0000  1
  Hg  Hg5  4  0.0688  0.5000  0.7838  1
  Hg  Hg6  4  0.1999  0.5000  0.3452  1
]