data_TaNb2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.85
_cell_angle_alpha   99.99
_cell_angle_beta   99.99
_cell_angle_gamma   117.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Re
_chemical_formula_sum   'Ta1 Nb2 Re1'
_cell_volume   68.48
_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  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.91  0.3  0.34  1.0
  Nb  Nb1  1  0.91  0.7  0.34  1.0
  Re  Re2  1  0.78  0.0  0.0  1.0

data_TaNb2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.33
_cell_length_c   5.37
_cell_angle_alpha   116.59
_cell_angle_beta   99.99
_cell_angle_gamma   100.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Re
_chemical_formula_sum   'Ta1 Nb2 Re1'
_cell_volume   68.48
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.04  0.7  0.62  1.0
  Nb  Nb2  1  0.64  0.3  0.21  1.0
  Re  Re3  1  0.0  0.0  0.78  1.0

Ta Nb Nb Re
Ta Nb Nb Re 0 3 - o o 0 2 - - o 0 2 - - - 1 3 o o o 1 2 o o o 2 3 o + o 