data_[Na8Mn4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7339]
_cell_length_b [11.7089]
_cell_length_c [7.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2MnSe3]
_chemical_formula_sum '[Na8 Mn4 Se12]'
_cell_volume [541.0806]
_cell_formula_units_Z [4]
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  4  0.0000  0.1533  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn3  4  0.0000  0.3322  0.5000  1.0
  Se  Se4  8  0.2395  0.3092  0.2968  1.0
  Se  Se5  4  0.1911  0.5000  0.7041  1.0
]