data_[Nb2Sb2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [15.0732]
_cell_length_b [3.6657]
_cell_length_c [18.8111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NbSbSe5]
_chemical_formula_sum '[Nb2 Sb2 Se10]'
_cell_volume [1039.3900]
_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  2  0.2500  0.5000  0.4963  1
  Sb  Sb1  2  0.0000  0.0000  0.5000  1
  Se  Se2  4  0.0972  0.5000  0.5775  1
  Se  Se3  4  0.1555  0.0000  0.4215  1
  Se  Se4  2  0.2500  0.0000  0.6013  1
]