data_[Tb2Cu4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1003]
_cell_length_b [3.9820]
_cell_length_c [7.2583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbCu2F6]
_chemical_formula_sum '[Tb2 Cu4 F12]'
_cell_volume [256.4196]
_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  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  4  0.1810  0.0000  0.1369  1.0
  F  F2  4  0.0015  0.0000  0.8090  1.0
  F  F3  4  0.1262  0.5000  0.5411  1.0
  F  F4  4  0.2420  0.5000  0.1739  1.0
]