data_[Zn8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.6206]
_cell_length_b [13.2807]
_cell_length_c [18.1224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [ZnSe]
_chemical_formula_sum '[Zn8 Se8]'
_cell_volume [1593.4222]
_cell_formula_units_Z [8]
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
[
  Zn  Zn0  4  0.0000  0.2500  0.5703  1
  Zn  Zn1  4  0.2500  0.0000  0.5000  1
  Se  Se2  8  0.0000  0.0799  0.5861  1
]