data_[Ba6Mg9V3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2688]
_cell_length_b [7.2688]
_cell_length_c [17.1603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Mg3VF12]
_chemical_formula_sum '[Ba6 Mg9 V3 F36]'
_cell_volume [785.2016]
_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  6  0.0000  0.0000  0.3817  1
  Mg  Mg1  9  0.0000  0.5000  0.5000  1
  V  V2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0158  0.5079  0.6182  1
  F  F4  18  0.0603  0.5301  0.8433  1
]