data_[K2Mn1Fe1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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/m]
_cell_length_a [5.3217]
_cell_length_b [3.2342]
_cell_length_c [6.2799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2MnFeO4]
_chemical_formula_sum '[K2 Mn1 Fe1 O4]'
_cell_volume [104.2488]
_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
[
  K  K0  1  0.0000  0.5000  0.5000  1.0
  K  K1  1  0.5000  0.0000  0.5000  1.0
  Mn  Mn2  1  0.5000  0.5000  0.0000  1.0
  Fe  Fe3  1  0.0000  0.0000  0.0000  1.0
  O  O4  2  0.2364  0.5000  0.1702  1.0
  O  O5  2  0.2612  0.0000  0.8196  1.0
]