data_[Y4Ge4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [10.6191]
_cell_length_b [4.3527]
_cell_length_c [7.1389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.1017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YGeAu]
_chemical_formula_sum '[Y4 Ge4 Au4]'
_cell_volume [252.3978]
_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
[
  Y  Y0  4  0.0538  0.5000  0.3006  1.0
  Ge  Ge1  4  0.1550  0.0000  0.6826  1.0
  Au  Au2  4  0.1681  0.0000  0.0988  1.0
]