data_[Nd4Ga2Au5]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6628]
_cell_length_b [3.8766]
_cell_length_c [8.9965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Ga2Au5]
_chemical_formula_sum '[Nd4 Ga2 Au5]'
_cell_volume [266.7720]
_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  0.2232  0.5000  0.1322  1.0
  Nd  Nd1  2  0.2718  0.5000  0.6294  1.0
  Ga  Ga2  2  0.0628  0.0000  0.3765  1.0
  Au  Au3  2  0.1280  0.0000  0.8756  1.0
  Au  Au4  2  0.4039  0.0000  0.3601  1.0
  Au  Au5  1  0.5000  0.0000  0.0000  1.0
]