data_[Ca4Be2Ga4Au8]
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
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.5446]
_cell_length_b [6.5446]
_cell_length_c [8.3304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca2Be(GaAu2)2]
_chemical_formula_sum '[Ca4 Be2 Ga4 Au8]'
_cell_volume [356.8014]
_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  0.5000  0.2500  1.0
  Be  Be1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.3067  1.0
  Au  Au3  8  0.2467  0.2467  0.5000  1.0
]