data_[Sr2Mn2Fe2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6120]
_cell_length_b [5.6151]
_cell_length_c [6.4957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrMnFeO4]
_chemical_formula_sum '[Sr2 Mn2 Fe2 O8]'
_cell_volume [197.0110]
_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  2  0.2539  0.2500  0.0491  1
  Mn  Mn1  2  0.2726  0.7500  0.3504  1
  Fe  Fe2  2  0.1754  0.2500  0.5356  1
  O  O3  4  0.0271  0.5207  0.2891  1
  O  O4  2  0.4693  0.7500  0.1723  1
  O  O5  2  0.4747  0.2500  0.4185  1
]