data_[Cd2P4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9997]
_cell_length_b [3.3002]
_cell_length_c [4.9633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdP2Au]
_chemical_formula_sum '[Cd2 P4 Au2]'
_cell_volume [166.9680]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.0000  1.0
  P  P1  4  0.2373  0.5000  0.6378  1.0
  Au  Au2  2  0.0000  0.5000  0.5000  1.0
]