data_[Ca4Be2Ge2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.9834]
_cell_length_b [8.8926]
_cell_length_c [8.0345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2BeGeAu6]
_chemical_formula_sum '[Ca4 Be2 Ge2 Au12]'
_cell_volume [427.5013]
_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  4  0.0000  0.2400  0.7315  1
  Be  Be1  2  0.0000  0.0000  0.2326  1
  Ge  Ge2  2  0.0000  0.5000  0.2924  1
  Au  Au3  4  0.0000  0.2495  0.1349  1
  Au  Au4  4  0.2311  0.0000  0.4668  1
  Au  Au5  4  0.2443  0.5000  0.9866  1
]