data_GaAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   2.79
_cell_angle_alpha   99.9
_cell_angle_beta   99.9
_cell_angle_gamma   116.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAsP2
_chemical_formula_sum   'Ga1 As1 P2'
_cell_volume   66.45
_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  Ga1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.78  0.0  0.0  1.0
  P  P2  1  0.93  0.27  0.32  1.0
  P  P3  1  0.93  0.73  0.32  1.0

data_GaAsP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   116.98
_cell_angle_beta   99.9
_cell_angle_gamma   99.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAsP2
_chemical_formula_sum   'Ga1 As1 P2'
_cell_volume   66.45
_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  0.78  0.0  1.0
  P  P2  1  0.32  0.93  0.27  1.0
  P  P3  1  0.32  0.93  0.73  1.0

Ga As P P
Ga As P P 0 1 - o o 0 3 - - o 0 3 - - - 1 2 o o o 1 3 o - o 