data_[Ca4Cd1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0200]
_cell_length_b [4.7155]
_cell_length_c [11.3020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ca4CdAu3]
_chemical_formula_sum '[Ca4 Cd1 Au3]'
_cell_volume [214.2467]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1460  1
  Ca  Ca1  1  0.0000  0.5000  0.8494  1
  Ca  Ca2  1  0.5000  0.0000  0.6386  1
  Ca  Ca3  1  0.5000  0.5000  0.3688  1
  Cd  Cd4  1  0.5000  0.5000  0.0754  1
  Au  Au5  1  0.0000  0.0000  0.4200  1
  Au  Au6  1  0.0000  0.5000  0.5808  1
  Au  Au7  1  0.5000  0.0000  0.9210  1
]