data_[Nd12Ga12Hg8]
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 [Cmcm]
_cell_length_a [4.5959]
_cell_length_b [11.2955]
_cell_length_c [15.1590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3Ga3Hg2]
_chemical_formula_sum '[Nd12 Ga12 Hg8]'
_cell_volume [786.9420]
_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  8  0.0000  0.0814  0.6132  1
  Nd  Nd1  4  0.0000  0.3534  0.7500  1
  Ga  Ga2  8  0.0000  0.4009  0.5435  1
  Ga  Ga3  4  0.0000  0.3615  0.2500  1
  Hg  Hg4  8  0.0000  0.2130  0.0952  1
]