data_[Nd4Mg6Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8212]
_cell_length_b [4.7469]
_cell_length_c [7.6370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Mg3Hg2]
_chemical_formula_sum '[Nd4 Mg6 Hg4]'
_cell_volume [364.8347]
_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
[
  Nd  Nd0  4  0.1385  0.0000  0.7770  1.0
  Mg  Mg1  4  0.1192  0.5000  0.4325  1.0
  Mg  Mg2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1579  0.0000  0.2123  1.0
]