data_Ta2CdRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdRe
_chemical_formula_sum   'Ta2 Cd1 Re1'
_cell_volume   71.74
_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  0.64  0.0  0.86  1.0
  Ta  Ta3  1  0.64  0.0  0.54  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.7  1.0

data_Ta2CdRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdRe
_chemical_formula_sum   'Ta2 Cd1 Re1'
_cell_volume   71.74
_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  0.64  0.0  0.54  1.0
  Ta  Ta1  1  0.64  0.0  0.86  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.7  1.0

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