# generated using pymatgen
data_GaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75018210
_cell_length_b   5.75018210
_cell_length_c   5.75018210
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAs
_chemical_formula_sum   'Ga4 As4'
_cell_volume   190.12743754
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Ga3+  3.0
  As3-  -3.0
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
  Ga3+  Ga0  1  0.00000000  0.00000000  0.00000000  1
  Ga3+  Ga1  1  0.00000000  0.50000000  0.50000000  1
  Ga3+  Ga2  1  0.50000000  0.00000000  0.50000000  1
  Ga3+  Ga3  1  0.50000000  0.50000000  0.00000000  1
  As3-  As4  1  0.25000000  0.75000000  0.75000000  1
  As3-  As5  1  0.25000000  0.25000000  0.25000000  1
  As3-  As6  1  0.75000000  0.75000000  0.25000000  1
  As3-  As7  1  0.75000000  0.25000000  0.75000000  1