data_[Na10Zn4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9561]
_cell_length_b [3.8276]
_cell_length_c [11.3688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5Zn2Se5]
_chemical_formula_sum '[Na10 Zn4 Se10]'
_cell_volume [579.8250]
_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  0.1638  0.5000  0.0613  1
  Na  Na1  4  0.2367  0.0000  0.6355  1
  Na  Na2  2  0.0000  0.5000  0.5000  1
  Zn  Zn3  4  0.0428  0.0000  0.7953  1
  Se  Se4  4  0.1073  0.0000  0.3819  1
  Se  Se5  4  0.1602  0.5000  0.7980  1
  Se  Se6  2  0.0000  0.0000  0.0000  1
]