data_[Tb4In2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4471]
_cell_length_b [3.6581]
_cell_length_c [5.5642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2InF8]
_chemical_formula_sum '[Tb4 In2 F16]'
_cell_volume [297.9640]
_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
[
  Tb  Tb0  4  0.1810  0.0000  0.6906  1.0
  In  In1  2  0.0000  0.5000  0.0000  1.0
  F  F2  4  0.0496  0.0000  0.8204  1.0
  F  F3  4  0.1021  0.5000  0.4607  1.0
  F  F4  4  0.1859  0.5000  0.9642  1.0
  F  F5  4  0.2193  0.0000  0.3326  1.0
]