data_TeAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   4.89
_cell_angle_alpha   110.66
_cell_angle_beta   110.66
_cell_angle_gamma   26.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAu2Cl
_chemical_formula_sum   'Te1 Au2 Cl1'
_cell_volume   88.91
_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
  Te  Te3  1  0.49  0.0  0.28  1.0
  Au  Au0  1  0.57  0.0  0.31  1.0
  Au  Au1  1  0.42  0.0  0.25  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_TeAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.89
_cell_length_c   6.56
_cell_angle_alpha   110.66
_cell_angle_beta   103.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAu2Cl
_chemical_formula_sum   'Te1 Au2 Cl1'
_cell_volume   88.91
_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
  Te  Te0  1  0.0  0.28  0.49  1.0
  Au  Au1  1  0.0  0.25  0.42  1.0
  Au  Au2  1  0.0  0.31  0.57  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Te Au Au Cl
Te Au Au Cl 0 2 o o o 0 1 o o o 0 3 o o o 2 3 o o o 3 3 + - o 