data_[Ca1Si2Ge1Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.5585]
_cell_length_b [5.5585]
_cell_length_c [9.6364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CaSi2GeAu8]
_chemical_formula_sum '[Ca1 Si2 Ge1 Au8]'
_cell_volume [257.8437]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Si  Si1  2  0.3333  0.6667  0.2133  1.0
  Ge  Ge2  1  0.0000  0.0000  0.5000  1.0
  Au  Au3  6  0.0858  0.3405  0.7098  1.0
  Au  Au4  2  0.3333  0.6667  0.9648  1.0
]