data_[Ba2Ga1F8]
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 [P-1]
_cell_length_a [4.9049]
_cell_length_b [4.9948]
_cell_length_c [7.5473]
_cell_angle_alpha [102.9789]
_cell_angle_beta [105.2715]
_cell_angle_gamma [94.9719]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2GaF8]
_chemical_formula_sum '[Ba2 Ga1 F8]'
_cell_volume [171.7092]
_cell_formula_units_Z [1]
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  0.2002  0.6689  0.3113  1
  Ga  Ga1  1  0.5000  0.0000  0.0000  1
  F  F2  2  0.1434  0.7715  0.9609  1
  F  F3  2  0.2109  0.2359  0.4910  1
  F  F4  2  0.3222  0.2453  0.8621  1
  F  F5  2  0.4806  0.2126  0.2447  1
]