data_NbCd2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.18
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Sn
_chemical_formula_sum   'Nb1 Cd2 Sn1'
_cell_volume   84.69
_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
  Nb  Nb2  1  0.0  0.0  0.19  1.0
  Cd  Cd0  1  0.0  0.0  0.1  1.0
  Cd  Cd1  1  0.62  0.09  0.56  1.0
  Sn  Sn3  1  0.62  0.09  0.54  1.0

data_NbCd2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.18
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Sn
_chemical_formula_sum   'Nb1 Cd2 Sn1'
_cell_volume   84.69
_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
  Nb  Nb0  1  0.0  0.0  0.19  1.0
  Cd  Cd1  1  0.0  0.0  0.1  1.0
  Cd  Cd2  1  0.62  0.09  0.56  1.0
  Sn  Sn3  1  0.62  0.09  0.54  1.0

Nb Cd Cd Sn
Nb Cd Cd Sn 0 1 o o o 2 3 o o o 