data_Sr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.91
_cell_length_b   12.91
_cell_length_c   12.91
_cell_angle_alpha   163.41
_cell_angle_beta   163.41
_cell_angle_gamma   23.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Fe
_chemical_formula_sum   'Sr4 Fe2'
_cell_volume   175.5
_cell_formula_units_Z   2
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  0.0  0.0  0.27  1.0
  Sr  Sr3  1  0.86  0.0  0.69  1.0
  Sr  Sr4  1  0.0  0.0  0.01  1.0
  Sr  Sr5  1  0.86  0.0  0.95  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.86  0.32  1.0

data_Sr2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   12.91
_cell_angle_alpha   98.29
_cell_angle_beta   98.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Fe
_chemical_formula_sum   'Sr4 Fe2'
_cell_volume   175.5
_cell_formula_units_Z   2
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  0.05  0.0  0.91  1.0
  Sr  Sr1  1  0.31  0.0  0.17  1.0
  Sr  Sr2  1  0.73  0.0  0.73  1.0
  Sr  Sr3  1  0.99  0.0  0.99  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.54  0.86  0.54  1.0

Sr Sr Sr Sr Fe Fe