data_AsP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   3.57
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   108.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsP3
_chemical_formula_sum   'As1 P3'
_cell_volume   65.75
_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
  As  As0  1  0.47  0.0  0.11  1.0
  P  P1  1  0.04  0.78  0.32  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.9  0.78  0.9  1.0

data_AsP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.37
_cell_length_c   4.46
_cell_angle_alpha   108.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsP3
_chemical_formula_sum   'As1 P3'
_cell_volume   65.75
_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
  As  As0  1  0.0  0.53  0.89  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.22  0.1  0.1  1.0
  P  P3  1  0.22  0.96  0.68  1.0

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