# generated using pymatgen
data_Zr5Nb5(Sn3B)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39093087
_cell_length_b   8.39093097
_cell_length_c   5.62084843
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.25964868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Nb5(Sn3B)2
_chemical_formula_sum   'Zr5 Nb5 Sn6 B2'
_cell_volume   341.83030043
_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
  Zr  Zr0  1  0.24010434  0.00273047  0.75000000  1.0
  Zr  Zr1  1  0.00273047  0.24010434  0.75000000  1.0
  Zr  Zr2  1  0.22955839  0.22955839  0.25000000  1.0
  Zr  Zr3  1  0.76267823  0.99748046  0.25000000  1.0
  Zr  Zr4  1  0.99748046  0.76267823  0.25000000  1.0
  Nb  Nb5  1  0.66668756  0.33217194  0.00042751  1.0
  Nb  Nb6  1  0.33217194  0.66668756  0.00042751  1.0
  Nb  Nb7  1  0.33217194  0.66668756  0.49957249  1.0
  Nb  Nb8  1  0.66668756  0.33217194  0.49957249  1.0
  Nb  Nb9  1  0.77281382  0.77281382  0.75000000  1.0
  Sn  Sn10  1  0.41001318  0.41001318  0.75000000  1.0
  Sn  Sn11  1  0.60011456  0.99806068  0.75000000  1.0
  Sn  Sn12  1  0.99806068  0.60011456  0.75000000  1.0
  Sn  Sn13  1  0.59483897  0.59483897  0.25000000  1.0
  Sn  Sn14  1  0.40192549  0.99972130  0.25000000  1.0
  Sn  Sn15  1  0.99972130  0.40192549  0.25000000  1.0
  B  B16  1  0.99612056  0.99612056  0.99140558  1.0
  B  B17  1  0.99612056  0.99612056  0.50859442  1.0