data_[Mn3Fe5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.4718]
_cell_length_b [3.9330]
_cell_length_c [8.6150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mn3Fe5]
_chemical_formula_sum '[Mn3 Fe5]'
_cell_volume [83.7497]
_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
[
  Mn  Mn0  1  0.0000  0.5000  0.7951  1.0
  Mn  Mn1  1  0.5000  0.0000  0.7061  1.0
  Mn  Mn2  1  0.5000  0.5000  0.5415  1.0
  Fe  Fe3  1  0.0000  0.0000  0.4568  1.0
  Fe  Fe4  1  0.0000  0.0000  0.9591  1.0
  Fe  Fe5  1  0.0000  0.5000  0.2911  1.0
  Fe  Fe6  1  0.5000  0.0000  0.2087  1.0
  Fe  Fe7  1  0.5000  0.5000  0.0415  1.0
]