data_[B12Mo4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [9.5821]
_cell_length_b [8.0874]
_cell_length_c [6.0054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [B3MoO6]
_chemical_formula_sum '[B12 Mo4 O24]'
_cell_volume [378.8095]
_cell_formula_units_Z [4]
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  8  0.2307  0.4345  0.1019  1
  B  B1  4  0.0000  0.2228  0.7500  1
  Mo  Mo2  4  0.0000  0.2701  0.2500  1
  O  O3  8  0.0911  0.3259  0.0003  1
  O  O4  8  0.1081  0.1240  0.7085  1
  O  O5  8  0.2105  0.4066  0.5193  1
]