data_CaCdSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   134.27
_cell_angle_beta   134.27
_cell_angle_gamma   66.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdSn2
_chemical_formula_sum   'Ca1 Cd1 Sn2'
_cell_volume   106.85
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.98  1.0
  Sn  Sn2  1  0.0  0.32  0.49  1.0
  Sn  Sn3  1  0.32  0.0  0.49  1.0

data_CaCdSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   123.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCdSn2
_chemical_formula_sum   'Ca2 Cd2 Sn4'
_cell_volume   213.7
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.02  0.0  0.02  1.0
  Sn  Sn2  4  0.17  0.34  0.83  1.0

Ca Cd Sn Sn