data_[Li1Al1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8170]
_cell_length_b [4.2122]
_cell_length_c [5.0763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiAlP2]
_chemical_formula_sum '[Li1 Al1 P2]'
_cell_volume [60.2336]
_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  0.5000  0.5000  0.8338  1
  Al  Al1  1  0.0000  0.0000  0.4299  1
  P  P2  1  0.0000  0.0000  0.9131  1
  P  P3  1  0.5000  0.5000  0.3232  1
]