data_[Ca2Al4Sn4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4536]
_cell_length_b [7.3797]
_cell_length_c [10.3705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaAl2Sn2Au7]
_chemical_formula_sum '[Ca2 Al4 Sn4 Au14]'
_cell_volume [493.8989]
_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  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  4  0.0000  0.5000  0.2752  1.0
  Sn  Sn2  4  0.0000  0.0000  0.3438  1.0
  Au  Au3  8  0.2500  0.2500  0.1783  1.0
  Au  Au4  4  0.0000  0.3147  0.5000  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]