data_LiAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.97
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   96.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlP2
_chemical_formula_sum   'Li1 Al1 P2'
_cell_volume   62.56
_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
  Li  Li1  1  0.51  0.0  0.1  1.0
  Al  Al0  1  0.78  0.49  0.01  1.0
  P  P2  1  0.53  0.49  0.17  1.0
  P  P3  1  0.8  0.0  0.59  1.0

data_LiAlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.78
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlP2
_chemical_formula_sum   'Li1 Al1 P2'
_cell_volume   62.56
_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
  Li  Li0  1  0.49  0.9  0.0  1.0
  Al  Al1  1  0.22  0.99  0.51  1.0
  P  P2  1  0.2  0.41  0.0  1.0
  P  P3  1  0.47  0.83  0.51  1.0

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