data_[Ca6Ho3Ge9Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1951]
_cell_length_b [9.1951]
_cell_length_c [17.6338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2Ho(GeAu4)3]
_chemical_formula_sum '[Ca6 Ho3 Ge9 Au36]'
_cell_volume [1291.1816]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4032  1
  Ho  Ho1  3  0.0000  0.0000  0.0000  1
  Ge  Ge2  9  0.0000  0.5000  0.5000  1
  Au  Au3  18  0.0172  0.5086  0.8159  1
  Au  Au4  18  0.0256  0.5128  0.3547  1
]