data_[Ga2Ge2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2537]
_cell_length_b [3.2943]
_cell_length_c [6.5530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaGeAu]
_chemical_formula_sum '[Ga2 Ge2 Au2]'
_cell_volume [122.1362]
_cell_formula_units_Z [2]
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
[
  Ga  Ga0  2  0.2945  0.7500  0.4595  1
  Ge  Ge1  2  0.0884  0.2500  0.8971  1
  Au  Au2  2  0.4570  0.2500  0.7985  1
]