data_[Al2P2N2Cl10]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5420]
_cell_length_b [8.8043]
_cell_length_c [8.8332]
_cell_angle_alpha [64.8921]
_cell_angle_beta [76.3814]
_cell_angle_gamma [68.8346]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlPNCl5]
_chemical_formula_sum '[Al2 P2 N2 Cl10]'
_cell_volume [492.9328]
_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  0.0807  0.4343  0.3737  1.0
  P  P1  2  0.2814  0.2311  0.7141  1.0
  N  N2  2  0.1322  0.3798  0.5946  1.0
  Cl  Cl3  2  0.0043  0.2343  0.3524  1.0
  Cl  Cl4  2  0.2487  0.9910  0.7998  1.0
  Cl  Cl5  2  0.2758  0.2734  0.9200  1.0
  Cl  Cl6  2  0.2935  0.5197  0.1819  1.0
  Cl  Cl7  2  0.4487  0.8034  0.3909  1.0
]