data_[Sc4Fe4Si4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1725]
_cell_length_b [3.7780]
_cell_length_c [6.3807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Fe2Si2C]
_chemical_formula_sum '[Sc4 Fe4 Si4 C2]'
_cell_volume [192.1439]
_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  4  0.0596  0.5000  0.2890  1.0
  Fe  Fe1  4  0.2048  0.0000  0.1012  1.0
  Si  Si2  4  0.1529  0.0000  0.6971  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]