data_CrTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   5.17
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTeAu2
_chemical_formula_sum   'Cr1 Te1 Au2'
_cell_volume   82.05
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.83  0.0  0.15  1.0
  Au  Au0  1  0.79  0.58  0.04  1.0
  Au  Au1  1  0.87  0.58  0.27  1.0

data_CrTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.3
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTeAu2
_chemical_formula_sum   'Cr1 Te1 Au2'
_cell_volume   82.05
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.17  0.85  0.0  1.0
  Au  Au2  1  0.13  0.73  0.42  1.0
  Au  Au3  1  0.21  0.96  0.42  1.0

Cr Te Au Au
Cr Te Au Au 0 1 - o o 2 3 o o o 