data_[Nb4Ge8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7090]
_cell_length_b [11.5146]
_cell_length_c [6.5905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb(GeSe3)2]
_chemical_formula_sum '[Nb4 Ge8 Se24]'
_cell_volume [946.2535]
_cell_formula_units_Z [4]
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  0.0000  0.1253  0.2500  1
  Ge  Ge1  8  0.1986  0.4201  0.3384  1
  Se  Se2  8  0.1027  0.0792  0.6225  1
  Se  Se3  8  0.1237  0.4113  0.6486  1
  Se  Se4  8  0.1322  0.2485  0.1276  1
]