data_CdInSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   146.03
_cell_angle_beta   128.93
_cell_angle_gamma   62.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInSn2
_chemical_formula_sum   'Cd1 In1 Sn2'
_cell_volume   106.83
_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  0.0  0.0  0.37  1.0
  In  In1  1  0.0  0.71  0.64  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.84  0.0  0.73  1.0

data_CdInSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.42
_cell_length_c   6.29
_cell_angle_alpha   115.53
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInSn2
_chemical_formula_sum   'Cd1 In1 Sn2'
_cell_volume   106.83
_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  0.0  0.37  0.37  1.0
  In  In1  1  0.29  0.93  0.93  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.73  0.89  1.0

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