data_TaAlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlTe
_chemical_formula_sum   'Ta1 Al1 Te1'
_cell_volume   60.64
_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  0.43  0.41  0.46  1.0
  Al  Al0  1  0.0  0.0  0.9  1.0
  Te  Te2  1  0.0  0.81  0.55  1.0

data_TaAlTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlTe
_chemical_formula_sum   'Ta1 Al1 Te1'
_cell_volume   60.64
_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  Ta0  1  0.46  0.43  0.41  1.0
  Al  Al1  1  0.9  0.0  0.0  1.0
  Te  Te2  1  0.55  0.0  0.81  1.0

Ta Al Te
Ta Al Te 0 1 o o - 0 1 o o o 0 2 o - o 0 2 + o o 0 0 o o + 1 2 o - o 