data_[Ba2Tb4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0988]
_cell_length_b [10.6729]
_cell_length_c [4.3408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTb2F8]
_chemical_formula_sum '[Ba2 Tb4 F16]'
_cell_volume [324.2975]
_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  0.5000  0.0000  1.0
  Tb  Tb1  4  0.0000  0.1762  0.5000  1.0
  F  F2  8  0.1871  0.3595  0.5624  1.0
  F  F3  4  0.0000  0.2412  0.0000  1.0
  F  F4  4  0.1092  0.0000  0.7755  1.0
]