data_[Ca2Yb2Ga8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Yb  1.1000  1.7500  1.0840
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.7434]
_cell_length_b [4.5422]
_cell_length_c [10.3369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaYb(Ga2Au)2]
_chemical_formula_sum '[Ca2 Yb2 Ga8 Au4]'
_cell_volume [316.6163]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.4077  1
  Yb  Yb1  2  0.5000  0.0000  0.5929  1
  Ga  Ga2  4  0.1971  0.0000  0.1231  1
  Ga  Ga3  4  0.3052  0.0000  0.8768  1
  Au  Au4  2  0.0000  0.0000  0.7000  1
  Au  Au5  2  0.5000  0.0000  0.2996  1
]