data_[Na4Zr4Mn2Se12]
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 [6.6904]
_cell_length_b [11.6914]
_cell_length_c [7.4706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Zr2MnSe6]
_chemical_formula_sum '[Na4 Zr4 Mn2 Se12]'
_cell_volume [557.3832]
_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  0.1661  0.0000  1.0
  Zr  Zr1  4  0.0000  0.3331  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2402  0.1675  0.7170  1.0
  Se  Se4  4  0.2395  0.5000  0.7146  1.0
]