data_AlSi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi2P
_chemical_formula_sum   'Al1 Si2 P1'
_cell_volume   60.57
_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  0.0  1.0
  Si  Si2  1  0.51  0.0  0.4  1.0
  Si  Si3  1  0.51  0.0  0.3  1.0
  P  P1  1  0.0  0.0  0.35  1.0

data_AlSi2P
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.76
_cell_length_b   8.7
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   113.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   AlSi2P
_chemical_formula_sum   'Al1 Si2 P1'
_cell_volume   60.57
_cell_formula_units_Z   1
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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.5  0.6  0.0  1.0
  Si  Si2  1  0.5  0.7  0.0  1.0
  P  P3  1  0.0  0.65  0.0  1.0

Al Si Si P
Al Si Si P 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 + o o 1 3 o o o 2 3 + o o 2 3 o o o 