# generated using pymatgen
data_Bi3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93572471
_cell_length_b   6.93572471
_cell_length_c   5.47662200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3As
_chemical_formula_sum   'Bi6 As2'
_cell_volume   228.15346185
_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
  Bi  Bi0  1  0.17777000  0.35554100  0.25000000  1.0
  Bi  Bi1  1  0.64445900  0.82223000  0.25000000  1.0
  Bi  Bi2  1  0.17777000  0.82223000  0.25000000  1.0
  Bi  Bi3  1  0.82223000  0.64445900  0.75000000  1.0
  Bi  Bi4  1  0.35554100  0.17777000  0.75000000  1.0
  Bi  Bi5  1  0.82223000  0.17777000  0.75000000  1.0
  As  As6  1  0.33333300  0.66666700  0.75000000  1.0
  As  As7  1  0.66666700  0.33333300  0.25000000  1.0