data_TaReTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   130.17
_cell_angle_beta   130.17
_cell_angle_gamma   73.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReTe2
_chemical_formula_sum   'Ta1 Re1 Te2'
_cell_volume   79.93
_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  0.17  1.0
  Re  Re0  1  0.19  0.0  0.09  1.0
  Te  Te2  1  0.0  0.19  0.09  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_TaReTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.19
_cell_angle_alpha   114.92
_cell_angle_beta   114.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReTe2
_chemical_formula_sum   'Ta1 Re1 Te2'
_cell_volume   79.93
_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  0.83  0.0  0.83  1.0
  Re  Re1  1  0.91  0.0  0.1  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.1  0.19  0.1  1.0

Ta Re Te Te
Ta Re Te Te 0 3 o o o 1 3 o o o 2 3 o o o 