data_CdFe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.39
_cell_angle_alpha   99.95
_cell_angle_beta   99.95
_cell_angle_gamma   36.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Si
_chemical_formula_sum   'Cd1 Fe2 Si1'
_cell_volume   57.19
_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  0.56  0.0  0.65  1.0
  Fe  Fe1  1  0.77  0.0  0.06  1.0
  Fe  Fe2  1  0.36  0.0  0.24  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_CdFe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.27
_cell_length_c   5.39
_cell_angle_alpha   99.95
_cell_angle_beta   90.0
_cell_angle_gamma   108.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Si
_chemical_formula_sum   'Cd1 Fe2 Si1'
_cell_volume   57.19
_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  0.44  0.35  1.0
  Fe  Fe1  1  0.0  0.23  0.94  1.0
  Fe  Fe2  1  0.0  0.64  0.76  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Cd Fe Fe Si