data_[Nd8Ga8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2062]
_cell_length_b [4.6201]
_cell_length_c [10.9422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Ga2Hg]
_chemical_formula_sum '[Nd8 Ga8 Hg4]'
_cell_volume [501.7763]
_cell_formula_units_Z [4]
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  0.0096  0.0000  0.3254  1.0
  Nd  Nd1  4  0.1811  0.0000  0.0964  1.0
  Ga  Ga2  4  0.0258  0.5000  0.8907  1.0
  Ga  Ga3  4  0.1319  0.5000  0.5630  1.0
  Hg  Hg4  4  0.2236  0.5000  0.3459  1.0
]