data_CdTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   4.55
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   92.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2Au
_chemical_formula_sum   'Cd1 Te2 Au1'
_cell_volume   114.47
_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
  Cd  Cd1  1  0.47  0.0  0.93  1.0
  Te  Te2  1  0.84  0.27  0.61  1.0
  Te  Te3  1  0.92  0.0  0.35  1.0
  Au  Au0  1  0.31  0.27  0.91  1.0

data_CdTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.55
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   92.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2Au
_chemical_formula_sum   'Cd1 Te2 Au1'
_cell_volume   114.47
_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
  Cd  Cd0  1  0.47  0.0  0.93  1.0
  Te  Te1  1  0.84  0.27  0.61  1.0
  Te  Te2  1  0.92  0.0  0.35  1.0
  Au  Au3  1  0.31  0.27  0.91  1.0

Cd Te Te Au