data_Al2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   20.04
_cell_angle_beta   20.04
_cell_angle_gamma   20.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AsP
_chemical_formula_sum   'Al2 As1 P1'
_cell_volume   79.61
_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
  Al  Al0  1  0.0  0.0  0.95  1.0
  Al  Al1  1  0.0  0.0  0.13  1.0
  As  As2  1  0.0  0.0  0.99  1.0
  P  P3  1  0.0  0.0  0.4  1.0

data_Al2AsP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2AsP
_chemical_formula_sum   'Al4 As2 P2'
_cell_volume   159.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Al  Al0  2  -0.0  0.0  0.87  1.0
  Al  Al1  2  -0.0  0.0  0.05  1.0
  As  As2  2  -0.0  0.0  0.01  1.0
  P  P3  2  -0.0  0.0  0.6  1.0

Al Al As P