data_[Ba6B4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9745]
_cell_length_b [5.4856]
_cell_length_c [7.5206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(BO3)2]
_chemical_formula_sum '[Ba6 B4 O12]'
_cell_volume [365.6886]
_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  0.1973  0.0000  0.1533  1.0
  Ba  Ba1  2  0.0000  0.0000  0.5000  1.0
  B  B2  4  0.0434  0.5000  0.2273  1.0
  O  O3  8  0.0375  0.2807  0.8105  1.0
  O  O4  4  0.1993  0.5000  0.3085  1.0
]