data_[Tb1Sc1C1F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5041]
_cell_length_b [3.5041]
_cell_length_c [6.2361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TbScCF2]
_chemical_formula_sum '[Tb1 Sc1 C1 F2]'
_cell_volume [66.3119]
_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
[
  Tb  Tb0  1  0.3333  0.6667  0.2041  1
  Sc  Sc1  1  0.6667  0.3333  0.7878  1
  C  C2  1  0.0000  0.0000  0.9857  1
  F  F3  1  0.3333  0.6667  0.6306  1
  F  F4  1  0.6667  0.3333  0.3918  1
]