data_Sr2MnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   24.73
_cell_angle_beta   24.73
_cell_angle_gamma   24.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnFe
_chemical_formula_sum   'Sr2 Mn1 Fe1'
_cell_volume   111.68
_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  0.0  0.0  0.17  1.0
  Sr  Sr3  1  0.0  0.0  0.54  1.0
  Mn  Mn1  1  0.0  0.0  0.44  1.0
  Fe  Fe0  1  0.0  0.0  0.15  1.0

data_Sr2MnFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.67
_cell_length_b   3.85
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2MnFe
_chemical_formula_sum   'Sr4 Mn2 Fe2'
_cell_volume   223.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.83  1.0
  Sr  Sr1  2  -0.0  0.0  0.46  1.0
  Mn  Mn2  2  -0.0  0.0  0.56  1.0
  Fe  Fe3  2  -0.0  0.0  0.85  1.0

Sr Sr Mn Fe