data_Ta3Re4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Re4
_chemical_formula_sum   'Ta3 Re4'
_cell_volume   117.13
_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  Ta4  1  0.58  0.0  0.53  1.0
  Ta  Ta5  1  0.71  0.24  0.53  1.0
  Ta  Ta6  1  0.29  0.24  0.53  1.0
  Re  Re0  1  0.0  0.0  0.89  1.0
  Re  Re1  1  0.0  0.0  0.17  1.0
  Re  Re2  1  0.0  0.98  0.0  1.0
  Re  Re3  1  0.58  0.49  0.0  1.0

data_Ta3Re4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Re4
_chemical_formula_sum   'Ta3 Re4'
_cell_volume   117.13
_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  0.53  0.29  0.24  1.0
  Ta  Ta1  1  0.53  0.58  0.0  1.0
  Ta  Ta2  1  0.53  0.71  0.24  1.0
  Re  Re3  1  0.0  0.0  0.98  1.0
  Re  Re4  1  0.0  0.58  0.49  1.0
  Re  Re5  1  0.17  0.0  0.0  1.0
  Re  Re6  1  0.89  0.0  0.0  1.0

Ta Ta Ta Re Re Re Re