data_CdAgSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42
_cell_length_b   10.42
_cell_length_c   10.42
_cell_angle_alpha   18.14
_cell_angle_beta   18.14
_cell_angle_gamma   18.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgSn2
_chemical_formula_sum   'Cd1 Ag1 Sn2'
_cell_volume   95.95
_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  Cd1  1  0.0  0.0  0.38  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.91  1.0
  Sn  Sn3  1  0.0  0.0  0.85  1.0

data_CdAgSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   3.29
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   100.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdAgSn2
_chemical_formula_sum   'Cd2 Ag2 Sn4'
_cell_volume   191.9
_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
  Cd  Cd0  2  0.0  0.0  0.62  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.09  1.0
  Sn  Sn3  2  0.0  0.0  0.15  1.0

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