# generated using pymatgen
data_Be3Nb6S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53454803
_cell_length_b   6.53454803
_cell_length_c   3.39195086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.75119508
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Nb6S
_chemical_formula_sum   'Be3 Nb6 S1'
_cell_volume   144.83601470
_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
  Be  Be0  1  0.38414323  0.11348118  0.00000000  1.0
  Be  Be1  1  0.61348118  0.88414323  0.00000000  1.0
  Be  Be2  1  0.12149628  0.62149628  0.00000000  1.0
  Nb  Nb3  1  0.00031476  0.99546632  0.00000000  1.0
  Nb  Nb4  1  0.49546632  0.50031476  0.00000000  1.0
  Nb  Nb5  1  0.67477382  0.17477382  0.50000000  1.0
  Nb  Nb6  1  0.18202094  0.32193718  0.50000000  1.0
  Nb  Nb7  1  0.82193718  0.68202094  0.50000000  1.0
  Nb  Nb8  1  0.32132381  0.82132381  0.50000000  1.0
  S  S9  1  0.88504247  0.38504247  0.00000000  1.0