data_TaInRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   145.34
_cell_angle_beta   130.86
_cell_angle_gamma   61.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInRe2
_chemical_formula_sum   'Ta1 In1 Re2'
_cell_volume   67.66
_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  Ta3  1  0.61  0.0  0.11  1.0
  In  In0  1  0.0  0.0  0.92  1.0
  Re  Re1  1  0.61  0.0  0.55  1.0
  Re  Re2  1  0.0  0.0  0.38  1.0

data_TaInRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.5
_cell_length_c   5.42
_cell_angle_alpha   114.57
_cell_angle_beta   107.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInRe2
_chemical_formula_sum   'Ta1 In1 Re2'
_cell_volume   67.66
_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  0.5  0.89  0.5  1.0
  In  In1  1  0.08  0.08  0.08  1.0
  Re  Re2  1  0.06  0.45  0.06  1.0
  Re  Re3  1  0.62  0.62  0.62  1.0

Ta In Re Re