data_[Tb2Sc2C2]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.4543]
_cell_length_b [3.4543]
_cell_length_c [12.1882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [TbScC]
_chemical_formula_sum '[Tb2 Sc2 C2]'
_cell_volume [125.9488]
_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  0.3333  0.6667  0.3911  1
  Sc  Sc1  2  0.3333  0.6667  0.1022  1
  C  C2  2  0.0000  0.0000  0.0067  1
]