data_[Ba8As4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5733]
_cell_length_b [7.4732]
_cell_length_c [9.5234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4As2O]
_chemical_formula_sum '[Ba8 As4 O2]'
_cell_volume [510.9442]
_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  0.4878  0.0058  0.2533  1.0
  Ba  Ba1  2  0.0550  0.2500  0.3618  1.0
  Ba  Ba2  2  0.0712  0.2500  0.9205  1.0
  As  As3  2  0.2385  0.7500  0.4328  1.0
  As  As4  2  0.2823  0.7500  0.9485  1.0
  O  O5  2  0.2599  0.2500  0.1943  1.0
]