data_[Ba4Ga4Br4F16]
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
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3590]
_cell_length_b [6.7483]
_cell_length_c [7.9815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaGaBrF4]
_chemical_formula_sum '[Ba4 Ga4 Br4 F16]'
_cell_volume [648.1502]
_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
[
  Ba  Ba0  4  0.1699  0.5000  0.8249  1
  Ga  Ga1  4  0.1907  0.5000  0.2891  1
  Br  Br2  4  0.1096  0.0000  0.7082  1
  F  F3  8  0.1709  0.2870  0.1295  1
  F  F4  4  0.0393  0.5000  0.2845  1
  F  F5  4  0.2212  0.5000  0.5272  1
]