# generated using pymatgen
data_Be3V6S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05260258
_cell_length_b   6.05260180
_cell_length_c   3.10037486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.77593177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3V6S
_chemical_formula_sum   'Be3 V6 S1'
_cell_volume   113.57824321
_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  0.37984221  0.11807931  0.00000000  1.0
  Be  Be1  1  0.61807931  0.87984221  0.00000000  1.0
  Be  Be2  1  0.12424525  0.62424525  0.00000000  1.0
  V  V3  1  0.00060525  0.99523502  0.00000000  1.0
  V  V4  1  0.49523502  0.50060525  0.00000000  1.0
  V  V5  1  0.67649517  0.17649517  0.50000000  1.0
  V  V6  1  0.17864152  0.32428721  0.50000000  1.0
  V  V7  1  0.82428721  0.67864152  0.50000000  1.0
  V  V8  1  0.32183297  0.82183297  0.50000000  1.0
  S  S9  1  0.88073610  0.38073610  0.00000000  1.0