data_[Sc14C10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.9375]
_cell_length_b [6.9375]
_cell_length_c [7.2938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Sc7C5]
_chemical_formula_sum '[Sc14 C10]'
_cell_volume [351.0456]
_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
[
  Sc  Sc0  8  0.0000  0.2514  0.7523  1
  Sc  Sc1  4  0.0000  0.5000  0.4975  1
  Sc  Sc2  2  0.0000  0.0000  0.3009  1
  C  C3  8  0.2499  0.2499  0.4770  1
  C  C4  2  0.0000  0.0000  0.9872  1
]