data_[Nd10Mg2Hg6]
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 [P6_3/mcm]
_cell_length_a [9.4008]
_cell_length_b [9.4008]
_cell_length_c [6.9627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Nd5MgHg3]
_chemical_formula_sum '[Nd10 Mg2 Hg6]'
_cell_volume [532.8976]
_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  6  0.0000  0.3062  0.7500  1.0
  Nd  Nd1  4  0.3333  0.6667  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  6  0.0000  0.3564  0.2500  1.0
]