data_[Ba3Be12Mo9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.2854]
_cell_length_b [10.2854]
_cell_length_c [7.8143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaBe4(MoO4)3]
_chemical_formula_sum '[Ba3 Be12 Mo9 O36]'
_cell_volume [715.9186]
_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
  Be  Be1  9  0.0000  0.4376  0.5000  1
  Be  Be2  3  0.0000  0.0000  0.5000  1
  Mo  Mo3  9  0.0000  0.5571  0.0000  1
  O  O4  18  0.0429  0.2294  0.1999  1
  O  O5  9  0.0000  0.5905  0.5000  1
  O  O6  9  0.0000  0.8471  0.5000  1
]