data_[Ba2Al2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [8.4441]
_cell_length_b [5.1262]
_cell_length_c [7.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAl(PO4)2]
_chemical_formula_sum '[Ba2 Al2 P4 O16]'
_cell_volume [336.0391]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.1445  0.5000  0.7964  1.0
  O  O3  8  0.0414  0.2542  0.8280  1.0
  O  O4  4  0.1827  0.5000  0.6048  1.0
  O  O5  4  0.2094  0.0000  0.0807  1.0
]