data_[Bi2As2O8]
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 [Pmn2_1]
_cell_length_a [7.1362]
_cell_length_b [5.1491]
_cell_length_c [5.0058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BiAsO4]
_chemical_formula_sum '[Bi2 As2 O8]'
_cell_volume [183.9378]
_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  2  0.0000  0.9062  0.0210  1.0
  As  As1  2  0.0000  0.3367  0.4747  1.0
  O  O2  4  0.1837  0.1642  0.3258  1.0
  O  O3  2  0.0000  0.3093  0.8154  1.0
  O  O4  2  0.0000  0.6597  0.4092  1.0
]