data_Ta2VRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VRe
_chemical_formula_sum   'Ta2 V1 Re1'
_cell_volume   64.84
_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  0.6  0.0  0.61  1.0
  Ta  Ta2  1  0.6  0.0  0.18  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.0  0.0  0.39  1.0

data_Ta2VRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VRe
_chemical_formula_sum   'Ta2 V1 Re1'
_cell_volume   64.84
_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  0.6  0.0  0.18  1.0
  Ta  Ta1  1  0.6  0.0  0.61  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.39  1.0

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