data_[Na2Sc2Zn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2017]
_cell_length_b [3.9604]
_cell_length_c [9.6376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaScZnSe3]
_chemical_formula_sum '[Na2 Sc2 Zn2 Se6]'
_cell_volume [299.6127]
_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  2  0.1991  0.2500  0.2071  1.0
  Sc  Sc1  2  0.3304  0.7500  0.8584  1.0
  Zn  Zn2  2  0.0843  0.2500  0.6029  1.0
  Se  Se3  2  0.0967  0.2500  0.8586  1.0
  Se  Se4  2  0.2350  0.7500  0.5420  1.0
  Se  Se5  2  0.4460  0.7500  0.1502  1.0
]