data_[Nd2Cu1Ge2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4421]
_cell_length_b [4.4421]
_cell_length_c [7.6987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nd2CuGe2Au]
_chemical_formula_sum '[Nd2 Cu1 Ge2 Au1]'
_cell_volume [131.5601]
_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  1  0.3333  0.6667  0.2420  1
  Nd  Nd1  1  0.3333  0.6667  0.7339  1
  Cu  Cu2  1  0.6667  0.3333  0.5127  1
  Ge  Ge3  1  0.0000  0.0000  0.4663  1
  Ge  Ge4  1  0.6667  0.3333  0.9514  1
  Au  Au5  1  0.0000  0.0000  0.0129  1
]