data_[Nb4Zn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [14.1809]
_cell_length_b [3.5407]
_cell_length_c [6.3996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2ZnSe4]
_chemical_formula_sum '[Nb4 Zn2 Se8]'
_cell_volume [287.2879]
_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
[
  Nb  Nb0  4  0.2465  0.5000  0.6826  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1032  0.0000  0.4520  1.0
  Se  Se3  4  0.1409  0.5000  0.9750  1.0
]