data_[Li1Sc2C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3084]
_cell_length_b [3.3084]
_cell_length_c [8.1873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiSc2C]
_chemical_formula_sum '[Li1 Sc2 C1]'
_cell_volume [77.6091]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1
  Sc  Sc1  2  0.3333  0.6667  0.6498  1
  C  C2  1  0.0000  0.0000  0.5000  1
]