data_[Tb4C4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2850]
_cell_length_b [3.6948]
_cell_length_c [6.6581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbCF]
_chemical_formula_sum '[Tb4 C4 F4]'
_cell_volume [175.3389]
_cell_formula_units_Z [4]
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  0.1813  0.0000  0.2240  1.0
  C  C1  4  0.0657  0.5000  0.9419  1.0
  F  F2  4  0.1822  0.0000  0.5948  1.0
]