data_[Nb10Si6B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.6733]
_cell_length_b [7.6733]
_cell_length_c [5.3100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Nb5Si3B]
_chemical_formula_sum '[Nb10 Si6 B2]'
_cell_volume [270.7629]
_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  6  0.0000  0.2471  0.2500  1.0
  Nb  Nb1  4  0.3333  0.6667  0.0000  1.0
  Si  Si2  6  0.0000  0.4013  0.7500  1.0
  B  B3  2  0.0000  0.0000  0.0000  1.0
]