data_[Sr2B6F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.5686]
_cell_length_b [9.5686]
_cell_length_c [6.0795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [SrB3F12]
_chemical_formula_sum '[Sr2 B6 F24]'
_cell_volume [482.0578]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.7500  1
  B  B1  6  0.0972  0.7089  0.2500  1
  F  F2  12  0.1925  0.7311  0.0598  1
  F  F3  6  0.0362  0.4504  0.7500  1
  F  F4  6  0.0454  0.8218  0.2500  1
]