data_[Nd2Ga3Hg1Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4211]
_cell_length_b [4.4211]
_cell_length_c [11.1361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Nd2Ga3HgAu4]
_chemical_formula_sum '[Nd2 Ga3 Hg1 Au4]'
_cell_volume [217.6705]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.7585  1.0
  Ga  Ga1  2  0.0000  0.5000  0.1252  1.0
  Ga  Ga2  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  1  0.5000  0.5000  0.5000  1.0
  Au  Au4  2  0.0000  0.5000  0.3493  1.0
  Au  Au5  1  0.0000  0.0000  0.0000  1.0
  Au  Au6  1  0.5000  0.5000  0.0000  1.0
]