data_TaCd2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25
_cell_length_b   10.25
_cell_length_c   10.25
_cell_angle_alpha   16.29
_cell_angle_beta   16.29
_cell_angle_gamma   16.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Re
_chemical_formula_sum   'Ta1 Cd2 Re1'
_cell_volume   73.82
_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  0.89  1.0
  Cd  Cd0  1  0.0  0.0  0.05  1.0
  Cd  Cd1  1  0.0  0.0  0.46  1.0
  Re  Re2  1  0.0  0.0  0.09  1.0

data_TaCd2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.9
_cell_length_c   10.25
_cell_angle_alpha   90.0
_cell_angle_beta   99.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCd2Re
_chemical_formula_sum   'Ta2 Cd4 Re2'
_cell_volume   147.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.11  1.0
  Cd  Cd1  2  0.0  0.0  0.54  1.0
  Cd  Cd2  2  0.0  0.0  0.95  1.0
  Re  Re3  2  0.0  0.0  0.91  1.0

Ta Cd Cd Re