data_[Zr2Cd1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1936]
_cell_length_b [3.1272]
_cell_length_c [5.4123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zr2CdAu]
_chemical_formula_sum '[Zr2 Cd1 Au1]'
_cell_volume [84.0299]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.0000  1
  Zr  Zr1  1  0.5000  0.5000  0.0000  1
  Cd  Cd2  1  0.5000  0.0000  0.5000  1
  Au  Au3  1  0.0000  0.5000  0.5000  1
]