data_[Na6Zr2Bi4Se12]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3026]
_cell_length_b [12.7221]
_cell_length_c [7.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Zr(BiSe3)2]
_chemical_formula_sum '[Na6 Zr2 Bi4 Se12]'
_cell_volume [640.7408]
_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  0.1737  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
  Bi  Bi3  4  0.0000  0.3349  0.0000  1.0
  Se  Se4  8  0.2322  0.1563  0.2279  1.0
  Se  Se5  4  0.2340  0.0000  0.7711  1.0
]