data_Cd2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiSn
_chemical_formula_sum   'Cd2 Ni1 Sn1'
_cell_volume   81.92
_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
  Cd  Cd0  1  0.41  0.81  0.66  1.0
  Cd  Cd1  1  0.41  0.19  0.66  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.81  0.0  0.0  1.0

data_Cd2NiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   114.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiSn
_chemical_formula_sum   'Cd2 Ni1 Sn1'
_cell_volume   81.92
_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
  Cd  Cd0  1  0.66  0.41  0.19  1.0
  Cd  Cd1  1  0.66  0.41  0.81  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.81  0.0  1.0

Cd Cd Ni Sn