data_TaRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.51
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2Te
_chemical_formula_sum   'Ta1 Re2 Te1'
_cell_volume   69.94
_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  Ta2  1  0.13  0.0  0.59  1.0
  Re  Re0  1  0.12  0.26  0.37  1.0
  Re  Re1  1  0.14  0.26  0.82  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_TaRe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.51
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2Te
_chemical_formula_sum   'Ta1 Re2 Te1'
_cell_volume   69.94
_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  0.13  0.0  0.59  1.0
  Re  Re1  1  0.12  0.26  0.37  1.0
  Re  Re2  1  0.14  0.26  0.82  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

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