data_Ti2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   6.57
_cell_angle_alpha   107.13
_cell_angle_beta   107.13
_cell_angle_gamma   58.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TeAu
_chemical_formula_sum   'Ti2 Te1 Au1'
_cell_volume   83.99
_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
  Ti  Ti2  1  0.64  0.0  0.71  1.0
  Ti  Ti3  1  0.07  0.0  0.46  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.36  0.0  0.09  1.0

data_Ti2TeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.98
_cell_length_c   6.57
_cell_angle_alpha   107.13
_cell_angle_beta   90.0
_cell_angle_gamma   119.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TeAu
_chemical_formula_sum   'Ti2 Te1 Au1'
_cell_volume   83.99
_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
  Ti  Ti0  1  0.0  0.36  0.29  1.0
  Ti  Ti1  1  0.0  0.93  0.54  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.64  0.91  1.0

Ti Ti Te Au