# generated using pymatgen
data_Be(Nb3S)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41631390
_cell_length_b   11.62881426
_cell_length_c   14.38304399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be(Nb3S)2
_chemical_formula_sum   'Be4 Nb24 S8'
_cell_volume   571.40496548
_cell_formula_units_Z   4
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  0.00000000  0.25204847  0.08828157  1.0
  Be  Be1  1  0.00000000  0.74795153  0.91171843  1.0
  Be  Be2  1  0.50000000  0.24795153  0.58828157  1.0
  Be  Be3  1  0.50000000  0.75204847  0.41171843  1.0
  Nb  Nb4  1  0.00000000  0.02915008  0.10952500  1.0
  Nb  Nb5  1  0.00000000  0.97084992  0.89047500  1.0
  Nb  Nb6  1  0.50000000  0.47084992  0.60952500  1.0
  Nb  Nb7  1  0.50000000  0.52915008  0.39047500  1.0
  Nb  Nb8  1  0.00000000  0.41356595  0.24187546  1.0
  Nb  Nb9  1  0.00000000  0.58643405  0.75812454  1.0
  Nb  Nb10  1  0.50000000  0.08643405  0.74187546  1.0
  Nb  Nb11  1  0.50000000  0.91356595  0.25812454  1.0
  Nb  Nb12  1  0.00000000  0.09324436  0.58013451  1.0
  Nb  Nb13  1  0.00000000  0.90675564  0.41986549  1.0
  Nb  Nb14  1  0.50000000  0.40675564  0.08013451  1.0
  Nb  Nb15  1  0.50000000  0.59324436  0.91986549  1.0
  Nb  Nb16  1  0.00000000  0.34585905  0.48237038  1.0
  Nb  Nb17  1  0.00000000  0.65414095  0.51762962  1.0
  Nb  Nb18  1  0.50000000  0.15414095  0.98237038  1.0
  Nb  Nb19  1  0.50000000  0.84585905  0.01762962  1.0
  Nb  Nb20  1  0.00000000  0.68828972  0.29302326  1.0
  Nb  Nb21  1  0.00000000  0.31171028  0.70697674  1.0
  Nb  Nb22  1  0.50000000  0.81171028  0.79302326  1.0
  Nb  Nb23  1  0.50000000  0.18828972  0.20697674  1.0
  Nb  Nb24  1  0.00000000  0.61880119  0.07247019  1.0
  Nb  Nb25  1  0.00000000  0.38119881  0.92752981  1.0
  Nb  Nb26  1  0.50000000  0.88119881  0.57247019  1.0
  Nb  Nb27  1  0.50000000  0.11880119  0.42752981  1.0
  S  S28  1  0.00000000  0.07246466  0.29627165  1.0
  S  S29  1  0.00000000  0.92753534  0.70372835  1.0
  S  S30  1  0.50000000  0.42753534  0.79627165  1.0
  S  S31  1  0.50000000  0.57246466  0.20372835  1.0
  S  S32  1  0.00000000  0.81267506  0.14854391  1.0
  S  S33  1  0.00000000  0.18732494  0.85145609  1.0
  S  S34  1  0.50000000  0.68732494  0.64854391  1.0
  S  S35  1  0.50000000  0.31267506  0.35145609  1.0