data_[Ca2Cd1Sn3Au4]
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
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6067]
_cell_length_b [4.6067]
_cell_length_c [11.6461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2CdSn3Au4]
_chemical_formula_sum '[Ca2 Cd1 Sn3 Au4]'
_cell_volume [247.1514]
_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  2  0.0000  0.5000  0.7634  1.0
  Cd  Cd1  1  0.5000  0.5000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.5000  0.1326  1.0
  Sn  Sn3  1  0.0000  0.0000  0.5000  1.0
  Au  Au4  2  0.0000  0.5000  0.3612  1.0
  Au  Au5  1  0.0000  0.0000  0.0000  1.0
  Au  Au6  1  0.5000  0.5000  0.0000  1.0
]