data_[Na4Zr4Mn4Se12]
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 [Pnma]
_cell_length_a [10.2506]
_cell_length_b [3.8638]
_cell_length_c [13.7520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaZrMnSe3]
_chemical_formula_sum '[Na4 Zr4 Mn4 Se12]'
_cell_volume [544.6669]
_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  0.2282  0.7500  0.0043  1
  Zr  Zr1  4  0.0207  0.2500  0.7470  1
  Mn  Mn2  4  0.2324  0.2500  0.2172  1
  Se  Se3  4  0.0370  0.2500  0.1164  1
  Se  Se4  4  0.0757  0.7500  0.6117  1
  Se  Se5  4  0.2310  0.7500  0.3316  1
]