data_As3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3P
_chemical_formula_sum   'As6 P2'
_cell_volume   227.9
_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
  As  As0  1  0.23  0.15  0.33  1.0
  As  As1  1  0.77  0.15  0.33  1.0
  As  As2  1  0.0  0.03  0.33  1.0
  As  As3  1  0.62  0.51  0.11  1.0
  As  As4  1  0.08  0.51  0.11  1.0
  As  As5  1  0.85  0.64  0.11  1.0
  P  P6  1  0.85  0.22  0.33  1.0
  P  P7  1  0.0  0.44  0.11  1.0

data_As3P
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.44
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   As3P
_chemical_formula_sum   'As6 P2'
_cell_volume   227.9
_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
  As  As0  2  0.11  0.35  0.82  1.0
  As  As1  2  0.11  0.58  0.69  1.0
  As  As2  2  0.11  0.8  0.82  1.0
  P  P3  2  0.11  0.42  0.89  1.0

As As As As As As P P
As As As As As As P P 0 2 o o o 1 6 o o o 3 5 o o o 4 7 o o o 