data_[Na12Zr9Mn3Se24]
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 [R-3m]
_cell_length_a [7.7593]
_cell_length_b [7.7593]
_cell_length_c [21.2534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4Zr3MnSe8]
_chemical_formula_sum '[Na12 Zr9 Mn3 Se24]'
_cell_volume [1108.1674]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Na  Na1  3  -0.0000  -0.0000  0.5000  1.0
  Zr  Zr2  9  0.0000  0.5000  0.0000  1.0
  Mn  Mn3  3  -0.0000  -0.0000  0.0000  1.0
  Se  Se4  18  0.0025  0.5013  0.7402  1.0
  Se  Se5  6  0.0000  0.0000  0.2578  1.0
]