data_TeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48
_cell_length_b   8.48
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAu2
_chemical_formula_sum   'Te2 Au4'
_cell_volume   133.19
_cell_formula_units_Z   2
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  Te4  1  0.03  0.42  0.99  1.0
  Te  Te5  1  0.03  0.58  1.0  1.0
  Au  Au0  1  0.03  0.04  0.99  1.0
  Au  Au1  1  0.03  0.96  1.0  1.0
  Au  Au2  1  0.03  0.86  0.99  1.0
  Au  Au3  1  0.03  0.14  1.0  1.0

data_TeAu2
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.06
_cell_length_b   3.99
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   TeAu2
_chemical_formula_sum   'Te2 Au4'
_cell_volume   133.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  2  0.42  0.0  0.92  1.0
  Au  Au1  2  0.04  0.0  0.54  1.0
  Au  Au2  2  0.14  0.0  0.64  1.0

Te Te Au Au Au Au
Te Te Au Au Au Au 0 1 o o o 2 3 o - o 2 5 o o o 3 4 o o o 