data_[Sr12Al8P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2295]
_cell_length_b [10.2176]
_cell_length_c [6.7063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3(AlP2)2]
_chemical_formula_sum '[Sr12 Al8 P16]'
_cell_volume [906.3366]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  8  0.1230  0.1304  0.5442  1.0
  Sr  Sr1  4  0.0000  0.4020  0.2500  1.0
  Al  Al2  8  0.2052  0.3768  0.9197  1.0
  P  P3  8  0.1180  0.1775  0.0237  1.0
  P  P4  8  0.1607  0.4206  0.5783  1.0
]