data_[Ba2Tl1Ga1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6787]
_cell_length_b [8.4719]
_cell_length_c [5.6336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2TlGaF8]
_chemical_formula_sum '[Ba2 Tl1 Ga1 F8]'
_cell_volume [219.8965]
_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  0.5000  0.2398  0.5000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Ga  Ga2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0757  0.1706  0.7808  1.0
  F  F4  2  0.3763  0.0000  0.1955  1.0
  F  F5  2  0.4223  0.5000  0.7261  1.0
]