data_[Na6Zr2Mn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  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 [6.8305]
_cell_length_b [11.5054]
_cell_length_c [7.3850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Zr(MnSe3)2]
_chemical_formula_sum '[Na6 Zr2 Mn4 Se12]'
_cell_volume [548.4464]
_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  4  0.0000  0.1652  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn3  4  0.0000  0.3320  0.0000  1.0
  Se  Se4  8  0.2358  0.1698  0.2145  1.0
  Se  Se5  4  0.2276  0.5000  0.2086  1.0
]