data_Ta2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   116.11
_cell_angle_beta   116.11
_cell_angle_gamma   96.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TeAu
_chemical_formula_sum   'Ta2 Te1 Au1'
_cell_volume   75.81
_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  0.47  0.55  1.0
  Ta  Ta2  1  0.47  0.0  0.55  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.1  1.0

data_Ta2TeAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   6.99
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   131.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2TeAu
_chemical_formula_sum   'Ta4 Te2 Au2'
_cell_volume   151.61
_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  4  0.19  0.26  0.45  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.4  0.5  0.9  1.0

Ta Ta Te Au