data_[Bi4As2O12]
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 [P2_1/c]
_cell_length_a [5.3894]
_cell_length_b [6.0232]
_cell_length_c [9.0413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi2AsO6]
_chemical_formula_sum '[Bi4 As2 O12]'
_cell_volume [245.4086]
_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  4  0.2326  0.0779  0.7484  1.0
  As  As1  2  0.5000  0.0000  0.5000  1.0
  O  O2  4  0.1627  0.1463  0.4576  1.0
  O  O3  4  0.2984  0.7275  0.4376  1.0
  O  O4  4  0.3884  0.0527  0.2684  1.0
]