data_Sr2CdFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   5.43
_cell_angle_alpha   111.28
_cell_angle_beta   111.28
_cell_angle_gamma   34.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdFe
_chemical_formula_sum   'Sr2 Cd1 Fe1'
_cell_volume   112.46
_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
  Sr  Sr2  1  0.32  0.0  0.28  1.0
  Sr  Sr3  1  0.32  0.0  0.64  1.0
  Cd  Cd0  1  0.42  0.0  0.34  1.0
  Fe  Fe1  1  0.92  0.0  0.27  1.0

data_Sr2CdFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.43
_cell_length_c   6.31
_cell_angle_alpha   111.28
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdFe
_chemical_formula_sum   'Sr2 Cd1 Fe1'
_cell_volume   112.46
_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
  Sr  Sr0  1  0.0  0.28  0.32  1.0
  Sr  Sr1  1  0.0  0.64  0.32  1.0
  Cd  Cd2  1  0.0  0.34  0.42  1.0
  Fe  Fe3  1  0.0  0.27  0.92  1.0

Sr Sr Cd Fe