data_NiGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   2.98
_cell_angle_alpha   102.89
_cell_angle_beta   102.89
_cell_angle_gamma   112.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Au
_chemical_formula_sum   'Ni1 Ge2 Au1'
_cell_volume   66.24
_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
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.83  0.88  0.36  1.0
  Ge  Ge2  1  0.83  0.12  0.36  1.0
  Au  Au0  1  0.86  0.0  0.0  1.0

data_NiGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   112.12
_cell_angle_beta   102.89
_cell_angle_gamma   102.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Au
_chemical_formula_sum   'Ni1 Ge2 Au1'
_cell_volume   66.24
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.36  0.83  0.12  1.0
  Ge  Ge2  1  0.36  0.83  0.88  1.0
  Au  Au3  1  0.0  0.86  0.0  1.0

Ni Ge Ge Au