data_[B6As2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.8760]
_cell_length_b [5.4073]
_cell_length_c [6.3881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [B3AsO6]
_chemical_formula_sum '[B6 As2 O12]'
_cell_volume [229.1585]
_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
[
  B  B0  4  0.2476  0.4444  0.2966  1.0
  B  B1  2  0.0000  0.2753  0.5000  1.0
  As  As2  2  0.0000  0.0901  0.0000  1.0
  O  O3  4  0.0915  0.1091  0.6921  1.0
  O  O4  4  0.1564  0.4305  0.4577  1.0
  O  O5  4  0.1981  0.3129  0.1035  1.0
]