data_TaTeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   145.83
_cell_angle_beta   145.83
_cell_angle_gamma   49.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTeAu
_chemical_formula_sum   'Ta1 Te1 Au1'
_cell_volume   61.0
_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
  Ta  Ta1  1  0.0  0.0  0.08  1.0
  Te  Te2  1  0.0  0.0  0.36  1.0
  Au  Au0  1  0.0  0.0  0.09  1.0

data_TaTeAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   114.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTeAu
_chemical_formula_sum   'Ta2 Te2 Au2'
_cell_volume   122.01
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.08  0.0  0.08  1.0
  Te  Te1  2  0.36  0.0  0.36  1.0
  Au  Au2  2  0.09  0.0  0.09  1.0

Ta Te Au
Ta Te Au 0 2 o o o 0 1 o o o 1 2 o o o 