data_ZnTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.19
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   91.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Au
_chemical_formula_sum   'Zn1 Te2 Au1'
_cell_volume   113.26
_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
  Zn  Zn3  1  0.59  0.0  0.41  1.0
  Te  Te1  1  0.77  0.0  0.59  1.0
  Te  Te2  1  0.47  0.1  0.23  1.0
  Au  Au0  1  0.51  0.1  0.39  1.0

data_ZnTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.21
_cell_length_c   6.41
_cell_angle_alpha   91.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Au
_chemical_formula_sum   'Zn1 Te2 Au1'
_cell_volume   113.26
_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
  Zn  Zn0  1  0.0  0.41  0.59  1.0
  Te  Te1  1  0.0  0.23  0.41  1.0
  Te  Te2  1  0.9  0.53  0.77  1.0
  Au  Au3  1  0.9  0.49  0.61  1.0

Zn Te Te Au
Zn Te Te Au 0 3 o o o 0 1 o o o 2 3 o o o 