data_[Ca8Ag8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8387]
_cell_length_b [4.2453]
_cell_length_c [11.7152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ag2Au]
_chemical_formula_sum '[Ca8 Ag8 Au4]'
_cell_volume [502.2373]
_cell_formula_units_Z [4]
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  0.0004  0.0000  0.3341  1.0
  Ca  Ca1  4  0.1866  0.0000  0.1161  1.0
  Ag  Ag2  4  0.0345  0.5000  0.8936  1.0
  Ag  Ag3  4  0.1449  0.5000  0.5435  1.0
  Au  Au4  4  0.2030  0.5000  0.3139  1.0
]