# generated using pymatgen
data_Be3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44764427
_cell_length_b   4.44764427
_cell_length_c   5.79801000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3S
_chemical_formula_sum   'Be6 S2'
_cell_volume   99.32753611
_cell_formula_units_Z   2
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  0.16609300  0.33218600  0.25000000  1.0
  Be  Be1  1  0.66781400  0.83390700  0.25000000  1.0
  Be  Be2  1  0.16609300  0.83390700  0.25000000  1.0
  Be  Be3  1  0.83390700  0.66781400  0.75000000  1.0
  Be  Be4  1  0.33218600  0.16609300  0.75000000  1.0
  Be  Be5  1  0.83390700  0.16609300  0.75000000  1.0
  S  S6  1  0.33333300  0.66666700  0.75000000  1.0
  S  S7  1  0.66666700  0.33333300  0.25000000  1.0