data_GaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   2.79
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP
_chemical_formula_sum   'Ga2 P2'
_cell_volume   66.53
_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
  Ga  Ga0  1  0.61  0.39  0.68  1.0
  Ga  Ga1  1  0.2  0.39  0.28  1.0
  P  P2  1  0.61  0.0  0.21  1.0
  P  P3  1  0.2  0.0  0.75  1.0

data_GaP
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.81
_cell_length_b   2.79
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   GaP
_chemical_formula_sum   'Ga2 P2'
_cell_volume   66.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.2  0.39  0.2  1.0
  P  P1  2  0.2  0.0  0.73  1.0

Ga Ga P P