data_CdSn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2As
_chemical_formula_sum   'Cd1 Sn2 As1'
_cell_volume   98.16
_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  0.46  0.0  0.09  1.0
  Sn  Sn2  1  0.0  0.0  0.11  1.0
  Sn  Sn3  1  0.46  0.0  0.38  1.0
  As  As0  1  0.0  0.0  0.87  1.0

data_CdSn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2As
_chemical_formula_sum   'Cd1 Sn2 As1'
_cell_volume   98.16
_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  0.46  0.0  0.09  1.0
  Sn  Sn1  1  0.0  0.0  0.11  1.0
  Sn  Sn2  1  0.46  0.0  0.38  1.0
  As  As3  1  0.0  0.0  0.87  1.0

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