data_[Ba4Ge2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.6101]
_cell_length_b [7.0728]
_cell_length_c [9.7617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba2GeAu5]
_chemical_formula_sum '[Ba4 Ge2 Au10]'
_cell_volume [456.3799]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.2536  1.0
  Ba  Ba1  2  0.0000  0.0000  0.8104  1.0
  Ge  Ge2  2  0.0000  0.5000  0.9274  1.0
  Au  Au3  8  0.2228  0.2163  0.5316  1.0
  Au  Au4  2  0.0000  0.5000  0.6597  1.0
]