data_LiAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.39
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   108.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlP2
_chemical_formula_sum   'Li1 Al1 P2'
_cell_volume   68.32
_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  0.0  0.0  0.0  1.0
  Al  Al0  1  0.95  0.0  0.73  1.0
  P  P2  1  0.42  0.69  0.69  1.0
  P  P3  1  0.49  0.69  0.78  1.0

data_LiAlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.69
_cell_length_c   5.75
_cell_angle_alpha   108.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlP2
_chemical_formula_sum   'Li1 Al1 P2'
_cell_volume   68.32
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.05  0.27  1.0
  P  P2  1  0.31  0.51  0.22  1.0
  P  P3  1  0.31  0.58  0.31  1.0

Li Al P P