data_[Al2P2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.9370]
_cell_length_b [2.8786]
_cell_length_c [6.8852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlPO]
_chemical_formula_sum '[Al2 P2 O2]'
_cell_volume [96.1123]
_cell_formula_units_Z [2]
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  2  0.3434  0.0000  0.8037  1
  P  P1  2  0.1011  0.0000  0.1205  1
  O  O2  2  0.1508  0.5000  0.6988  1
]