data_[Ta4Ge4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [10.5244]
_cell_length_b [2.8993]
_cell_length_c [7.7991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaGeAu]
_chemical_formula_sum '[Ta4 Ge4 Au4]'
_cell_volume [210.8262]
_cell_formula_units_Z [4]
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
[
  Ta  Ta0  4  0.1461  0.5000  0.3114  1
  Ge  Ge1  4  0.1211  0.5000  0.6589  1
  Au  Au2  4  0.1144  0.0000  0.9559  1
]