data_AlIn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn2P
_chemical_formula_sum   'Al1 In2 P1'
_cell_volume   87.12
_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
  In  In1  1  0.73  0.73  0.01  1.0
  In  In2  1  0.73  0.73  0.26  1.0
  P  P3  1  0.0  0.0  0.63  1.0

data_AlIn2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlIn2P
_chemical_formula_sum   'Al2 In4 P2'
_cell_volume   174.25
_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  0.0  1.0
  In  In1  2  0.23  0.5  0.01  1.0
  In  In2  2  0.23  0.5  0.26  1.0
  P  P3  2  0.0  0.0  0.63  1.0

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