data_[Sn2Ge2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3166]
_cell_length_b [4.0730]
_cell_length_c [7.3097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnGeAu2]
_chemical_formula_sum '[Sn2 Ge2 Au4]'
_cell_volume [174.9812]
_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
[
  Sn  Sn0  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  4  0.2413  0.5000  0.2251  1.0
]