data_[Ca4Si2As2Au12]
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
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7831]
_cell_length_b [8.3841]
_cell_length_c [9.3156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2SiAsAu6]
_chemical_formula_sum '[Ca4 Si2 As2 Au12]'
_cell_volume [451.6735]
_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  0.2465  0.7398  1.0
  Si  Si1  2  0.0000  0.0000  0.2584  1.0
  As  As2  2  0.0000  0.5000  0.3031  1.0
  Au  Au3  4  0.0000  0.2622  0.1287  1.0
  Au  Au4  4  0.2420  0.5000  0.9733  1.0
  Au  Au5  4  0.2471  0.0000  0.4713  1.0
]