data_[Na2Mn2Fe2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0066]
_cell_length_b [3.6630]
_cell_length_c [8.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaMnFeSe3]
_chemical_formula_sum '[Na2 Mn2 Fe2 Se6]'
_cell_volume [249.2840]
_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
[
  Na  Na0  2  0.2108  0.2500  0.2566  1.0
  Mn  Mn1  2  0.3285  0.7500  0.8495  1.0
  Fe  Fe2  2  0.0657  0.2500  0.5942  1.0
  Se  Se3  2  0.1223  0.2500  0.8763  1.0
  Se  Se4  2  0.2527  0.7500  0.5468  1.0
  Se  Se5  2  0.4536  0.7500  0.1424  1.0
]