data_[Y4Sc4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9941]
_cell_length_b [3.4952]
_cell_length_c [6.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YScC]
_chemical_formula_sum '[Y4 Sc4 C4]'
_cell_volume [246.2413]
_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
[
  Y  Y0  4  0.1324  0.5000  0.3654  1.0
  Sc  Sc1  4  0.1485  0.0000  0.8761  1.0
  C  C2  4  0.2470  0.5000  0.7601  1.0
]