data_[Ca2Ag10Au14]
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 [Imm2]
_cell_length_a [5.6350]
_cell_length_b [9.6326]
_cell_length_c [9.4697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaAg5Au7]
_chemical_formula_sum '[Ca2 Ag10 Au14]'
_cell_volume [514.0073]
_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  0.9928  1.0
  Ag  Ag1  8  0.2494  0.2496  0.7508  1.0
  Ag  Ag2  2  0.0000  0.5000  0.7244  1.0
  Au  Au3  4  0.0000  0.2893  0.5014  1.0
  Au  Au4  4  0.0000  0.3465  0.0014  1.0
  Au  Au5  2  0.0000  0.0000  0.3395  1.0
  Au  Au6  2  0.0000  0.0000  0.6496  1.0
  Au  Au7  2  0.0000  0.5000  0.2846  1.0
]