data_[Bi2As2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6610]
_cell_length_b [5.5872]
_cell_length_c [5.9196]
_cell_angle_alpha [79.4045]
_cell_angle_beta [71.1084]
_cell_angle_gamma [76.6314]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BiAsO]
_chemical_formula_sum '[Bi2 As2 O2]'
_cell_volume [140.9021]
_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
[
  Bi  Bi0  1  0.5145  0.1552  0.0334  1
  Bi  Bi1  1  0.5899  0.6209  0.4897  1
  As  As2  1  0.8128  0.5740  0.9010  1
  As  As3  1  0.9959  0.1411  0.4546  1
  O  O4  1  0.2082  0.4072  0.7856  1
  O  O5  1  0.8275  0.9832  0.2951  1
]