data_[Ba12As2P4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5272]
_cell_length_b [8.2413]
_cell_length_c [13.3133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6AsP2O]
_chemical_formula_sum '[Ba12 As2 P4 O2]'
_cell_volume [718.7663]
_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  4  0.0932  0.7036  0.4284  1.0
  Ba  Ba1  4  0.2074  0.1724  0.4193  1.0
  Ba  Ba2  4  0.3949  0.5535  0.2400  1.0
  As  As3  2  0.5000  0.0000  0.0000  1.0
  P  P4  4  0.1831  0.5976  0.7365  1.0
  O  O5  2  0.0000  0.0000  0.5000  1.0
]