data_SrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2
_chemical_formula_sum   'Sr2 Fe4'
_cell_volume   125.6
_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  Sr4  1  0.83  0.98  0.7  1.0
  Sr  Sr5  1  0.83  0.02  0.23  1.0
  Fe  Fe0  1  0.83  0.63  0.7  1.0
  Fe  Fe1  1  0.83  0.66  0.7  1.0
  Fe  Fe2  1  0.83  0.37  0.23  1.0
  Fe  Fe3  1  0.83  0.34  0.23  1.0

data_SrFe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.66
_cell_length_b   4.93
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   104.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrFe2
_chemical_formula_sum   'Sr2 Fe4'
_cell_volume   125.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.02  0.73  0.02  1.0
  Fe  Fe1  2  0.34  0.73  0.34  1.0
  Fe  Fe2  2  0.37  0.73  0.37  1.0

Sr Sr Fe Fe Fe Fe
Sr Sr Fe Fe Fe Fe 0 1 o + o 0 1 o + + 0 3 o o o 0 2 o o o 1 5 o o o 1 4 o o o 2 3 o o o 4 5 o o o 