data_[Nd4Ga4Hg8]
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 [Ama2]
_cell_length_a [4.8955]
_cell_length_b [11.5387]
_cell_length_c [6.7970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [NdGaHg2]
_chemical_formula_sum '[Nd4 Ga4 Hg8]'
_cell_volume [383.9459]
_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  0.2500  0.3356  0.9927  1
  Ga  Ga1  4  0.2500  0.0745  0.2363  1
  Hg  Hg2  4  0.2500  0.0827  0.7597  1
  Hg  Hg3  4  0.2500  0.3414  0.5113  1
]