data_[Ba3B12Mo9O36]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.9957]
_cell_length_b [9.9957]
_cell_length_c [8.3225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaB4(MoO4)3]
_chemical_formula_sum '[Ba3 B12 Mo9 O36]'
_cell_volume [720.1338]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  B  B1  9  0.0000  0.4412  0.5000  1.0
  B  B2  3  0.0000  0.0000  0.5000  1.0
  Mo  Mo3  9  0.0000  0.5548  0.0000  1.0
  O  O4  18  0.0227  0.2196  0.1976  1.0
  O  O5  9  0.0000  0.5840  0.5000  1.0
  O  O6  9  0.0000  0.8604  0.5000  1.0
]