data_GaAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAs3
_chemical_formula_sum   'Ga1 As3'
_cell_volume   79.29
_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  Ga3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.38  0.6  0.38  1.0
  As  As1  1  0.38  0.4  0.38  1.0
  As  As2  1  0.76  0.0  0.0  1.0

data_GaAs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.52
_cell_length_c   5.89
_cell_angle_alpha   117.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAs3
_chemical_formula_sum   'Ga1 As3'
_cell_volume   79.29
_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  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.0  0.76  1.0
  As  As2  1  0.38  0.4  0.78  1.0
  As  As3  1  0.38  0.6  0.98  1.0

Ga As As As