data_SrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2
_chemical_formula_sum   'Sr4 Fe8'
_cell_volume   341.42
_cell_formula_units_Z   4
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  Sr8  1  0.49  0.0  0.49  1.0
  Sr  Sr9  1  0.0  0.49  0.49  1.0
  Sr  Sr10  1  0.0  0.0  0.0  1.0
  Sr  Sr11  1  0.49  0.49  0.0  1.0
  Fe  Fe0  1  0.6  0.09  0.39  1.0
  Fe  Fe1  1  0.39  0.9  0.6  1.0
  Fe  Fe2  1  0.09  0.39  0.6  1.0
  Fe  Fe3  1  0.9  0.6  0.39  1.0
  Fe  Fe4  1  0.39  0.6  0.09  1.0
  Fe  Fe5  1  0.6  0.39  0.9  1.0
  Fe  Fe6  1  0.9  0.9  0.9  1.0
  Fe  Fe7  1  0.09  0.09  0.09  1.0

data_SrFe2
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   12.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   SrFe2
_chemical_formula_sum   'Sr12 Fe24'
_cell_volume   1024.27
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.0  0.5  1.0  1.0
  Sr  Sr1  3  0.0  0.0  0.0  1.0
  Fe  Fe2  9  0.03  0.27  0.36  1.0
  Fe  Fe3  9  0.1  0.7  0.3  1.0
  Fe  Fe4  3  0.0  0.0  0.09  1.0
  Fe  Fe5  3  0.0  0.0  0.9  1.0

Sr Sr Sr Sr Fe Fe Fe Fe Fe Fe Fe Fe
Sr Sr Sr Sr Fe Fe Fe Fe Fe Fe Fe Fe 0 5 o - o 0 4 o o o 1 7 - o o 1 6 o o o 2 10 - - - 2 11 o o o 3 8 o o o 3 9 o o - 