data_TaCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   11.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Sb
_chemical_formula_sum   'Ta1 Cd2 Sb1'
_cell_volume   95.64
_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  0.81  0.0  0.67  1.0
  Cd  Cd0  1  0.0  0.0  0.35  1.0
  Cd  Cd1  1  0.81  0.0  0.66  1.0
  Sb  Sb2  1  0.0  0.0  0.91  1.0

data_TaCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   11.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Sb
_chemical_formula_sum   'Ta1 Cd2 Sb1'
_cell_volume   95.64
_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  0.81  0.0  0.67  1.0
  Cd  Cd1  1  0.0  0.0  0.35  1.0
  Cd  Cd2  1  0.81  0.0  0.66  1.0
  Sb  Sb3  1  0.0  0.0  0.91  1.0

Ta Cd Cd Sb
Ta Cd Cd Sb 0 2 o o o 0 1 + o o 0 3 + o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 - o o 2 3 + o o 3 3 o + o 3 3 + o o 