data_[Al2P2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.7283]
_cell_length_b [13.0468]
_cell_length_c [6.9026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [AlPCl6]
_chemical_formula_sum '[Al2 P2 Cl12]'
_cell_volume [599.7768]
_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  0.3608  0.0601  0.4473  1.0
  P  P1  2  0.0060  0.3739  0.7802  1.0
  Cl  Cl2  2  0.1547  0.0187  0.1495  1.0
  Cl  Cl3  2  0.2013  0.7697  0.1591  1.0
  Cl  Cl4  2  0.2039  0.3713  0.0322  1.0
  Cl  Cl5  2  0.2505  0.2056  0.5184  1.0
  Cl  Cl6  2  0.3025  0.9358  0.6284  1.0
  Cl  Cl7  2  0.3484  0.5659  0.6360  1.0
]