# generated using pymatgen
data_As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82788584
_cell_length_b   3.82788584
_cell_length_c   10.61674747
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As
_chemical_formula_sum   As6
_cell_volume   134.72248119
_cell_formula_units_Z   6
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
  As  As0  1  0.00000000  0.00000000  0.22732000  1
  As  As1  1  0.66666667  0.33333333  0.10601333  1
  As  As2  1  0.66666667  0.33333333  0.56065333  1
  As  As3  1  0.33333333  0.66666667  0.43934667  1
  As  As4  1  0.33333333  0.66666667  0.89398667  1
  As  As5  1  0.00000000  0.00000000  0.77268000  1
