data_CdFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   155.77
_cell_angle_beta   144.65
_cell_angle_gamma   43.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeSn2
_chemical_formula_sum   'Cd1 Fe1 Sn2'
_cell_volume   86.84
_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  0.17  0.91  1.0
  Fe  Fe1  1  0.0  0.0  0.04  1.0
  Sn  Sn2  1  0.0  0.17  0.77  1.0
  Sn  Sn3  1  0.0  0.0  0.24  1.0

data_CdFeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.35
_cell_length_c   7.16
_cell_angle_alpha   107.67
_cell_angle_beta   102.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeSn2
_chemical_formula_sum   'Cd1 Fe1 Sn2'
_cell_volume   86.84
_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  0.09  0.26  0.26  1.0
  Fe  Fe1  1  0.96  0.96  0.96  1.0
  Sn  Sn2  1  0.23  0.41  0.41  1.0
  Sn  Sn3  1  0.76  0.76  0.76  1.0

Cd Fe Sn Sn
Cd Fe Sn Sn 0 2 o o o 1 3 o o o 