# generated using pymatgen
data_GaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90785450
_cell_length_b   3.90785450
_cell_length_c   3.90785450
_cell_angle_alpha   135.33744405
_cell_angle_beta   101.29045645
_cell_angle_gamma   95.33381263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAs
_chemical_formula_sum   'Ga1 As1'
_cell_volume   38.73331858
_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
  Ga  Ga0  1  0.50000000  0.60206300  0.10206300  1.0
  As  As1  1  0.00000000  0.95241600  0.95241600  1.0