data_[Y6Sc2Si4C2]
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
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4314]
_cell_length_b [4.6352]
_cell_length_c [15.1141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3ScSi2C]
_chemical_formula_sum '[Y6 Sc2 Si4 C2]'
_cell_volume [310.4445]
_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
[
  Y  Y0  4  0.0000  0.0000  0.1674  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  2  0.0000  0.5000  0.5000  1.0
  Si  Si3  4  0.0000  0.0000  0.3646  1.0
  C  C4  2  0.0000  0.0000  0.0000  1.0
]