data_[Ca10Zn4Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3154]
_cell_length_b [7.6190]
_cell_length_c [6.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5(ZnAu6)2]
_chemical_formula_sum '[Ca10 Zn4 Au24]'
_cell_volume [811.8641]
_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  0.1944  0.5000  0.0446  1
  Ca  Ca1  4  0.2446  0.0000  0.4326  1
  Ca  Ca2  2  0.0000  0.0000  0.5000  1
  Zn  Zn3  4  0.0000  0.2852  0.0000  1
  Au  Au4  8  0.1041  0.3026  0.3504  1
  Au  Au5  8  0.1468  0.1844  0.7527  1
  Au  Au6  4  0.0562  0.5000  0.7142  1
  Au  Au7  4  0.1024  0.0000  0.1018  1
]