data_CaCd2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   3.43
_cell_angle_alpha   104.64
_cell_angle_beta   104.64
_cell_angle_gamma   121.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Sn
_chemical_formula_sum   'Ca1 Cd2 Sn1'
_cell_volume   107.56
_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  0.73  0.84  0.47  1.0
  Cd  Cd2  1  0.73  0.16  0.47  1.0
  Sn  Sn3  1  0.22  0.0  0.0  1.0

data_CaCd2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.52
_cell_length_c   6.53
_cell_angle_alpha   114.61
_cell_angle_beta   104.64
_cell_angle_gamma   91.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Sn
_chemical_formula_sum   'Ca1 Cd2 Sn1'
_cell_volume   107.56
_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  0.31  0.84  0.57  1.0
  Cd  Cd2  1  0.63  0.16  0.88  1.0
  Sn  Sn3  1  -0.0  0.0  0.22  1.0

Ca Cd Cd Sn
Ca Cd Cd Sn 0 3 o o o 0 1 - - - 1 2 o + o 