data_Nb2CdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   142.1
_cell_angle_beta   133.31
_cell_angle_gamma   61.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdPt
_chemical_formula_sum   'Nb2 Cd1 Pt1'
_cell_volume   70.68
_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  Nb1  1  0.0  0.15  0.26  1.0
  Nb  Nb2  1  0.76  0.0  0.4  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.66  1.0

data_Nb2CdPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.3
_cell_length_c   5.43
_cell_angle_alpha   113.34
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdPt
_chemical_formula_sum   'Nb2 Cd1 Pt1'
_cell_volume   70.68
_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  0.4  0.64  1.0
  Nb  Nb1  1  0.85  0.11  0.11  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.66  0.66  1.0

Nb Nb Cd Pt
Nb Nb Cd Pt 0 2 o o o 1 3 + o o 