# generated using pymatgen
data_Ta6Be3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47817140
_cell_length_b   6.47817140
_cell_length_c   3.36441253
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.71565815
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Be3S
_chemical_formula_sum   'Ta6 Be3 S1'
_cell_volume   141.19156829
_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
  Ta  Ta0  1  0.50398110  0.50032496  0.00000000  1.0
  Ta  Ta1  1  0.00032496  0.00398110  0.00000000  1.0
  Ta  Ta2  1  0.67793006  0.17793006  0.50000000  1.0
  Ta  Ta3  1  0.32748711  0.82748711  0.50000000  1.0
  Ta  Ta4  1  0.17671430  0.31768020  0.50000000  1.0
  Ta  Ta5  1  0.81768020  0.67671430  0.50000000  1.0
  Be  Be6  1  0.87694459  0.37694459  0.00000000  1.0
  Be  Be7  1  0.61700908  0.88551143  0.00000000  1.0
  Be  Be8  1  0.38551143  0.11700908  0.00000000  1.0
  S  S9  1  0.11641816  0.61641816  0.00000000  1.0