data_[Nb4Sb1Se3]
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 [P-1]
_cell_length_a [5.5895]
_cell_length_b [5.6991]
_cell_length_c [5.9274]
_cell_angle_alpha [109.3201]
_cell_angle_beta [110.5676]
_cell_angle_gamma [99.8835]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nb4SbSe3]
_chemical_formula_sum '[Nb4 Sb1 Se3]'
_cell_volume [157.7223]
_cell_formula_units_Z [1]
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  0.0390  0.2924  0.5830  1
  Nb  Nb1  1  0.5000  0.0000  0.0000  1
  Nb  Nb2  1  0.5000  0.5000  0.5000  1
  Sb  Sb3  1  0.5000  0.0000  0.5000  1
  Se  Se4  2  0.0025  0.2758  0.1272  1
  Se  Se5  1  0.5000  0.5000  0.0000  1
]