data_[Ba2Ga4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4193]
_cell_length_b [6.1116]
_cell_length_c [5.5324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaGa2F8]
_chemical_formula_sum '[Ba2 Ga4 F16]'
_cell_volume [351.3499]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  4  0.2190  0.5000  0.4895  1.0
  F  F2  8  0.1447  0.2097  0.3732  1.0
  F  F3  4  0.1128  0.5000  0.7341  1.0
  F  F4  4  0.2117  0.0000  0.8070  1.0
]