data_SrZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   143.29
_cell_angle_beta   125.61
_cell_angle_gamma   67.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Fe
_chemical_formula_sum   'Sr1 Zn2 Fe1'
_cell_volume   76.92
_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  Sr1  1  0.71  0.0  0.35  1.0
  Zn  Zn2  1  0.0  0.0  0.78  1.0
  Zn  Zn3  1  0.0  0.48  0.08  1.0
  Fe  Fe0  1  0.0  0.0  0.88  1.0

data_SrZn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.97
_cell_length_c   5.44
_cell_angle_alpha   117.2
_cell_angle_beta   108.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Fe
_chemical_formula_sum   'Sr1 Zn2 Fe1'
_cell_volume   76.92
_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  0.35  0.64  1.0
  Zn  Zn1  1  0.0  0.78  0.78  1.0
  Zn  Zn2  1  0.52  0.6  0.6  1.0
  Fe  Fe3  1  0.0  0.88  0.88  1.0

Sr Zn Zn Fe
Sr Zn Zn Fe 0 2 + - o 0 2 + o + 0 3 + o o 0 1 + o o 1 3 o o o 1 2 o o + 2 3 o o - 