data_[Sc16Fe12Mo8C12]
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
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2911]
_cell_length_b [5.4161]
_cell_length_c [14.5269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4Fe3Mo2C3]
_chemical_formula_sum '[Sc16 Fe12 Mo8 C12]'
_cell_volume [713.1337]
_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
[
  Sc  Sc0  8  0.1150  0.0735  0.5919  1
  Sc  Sc1  8  0.2138  0.0869  0.9079  1
  Fe  Fe2  8  0.2401  0.3410  0.7485  1
  Fe  Fe3  4  0.0000  0.0759  0.7500  1
  Mo  Mo4  8  0.0611  0.4116  0.4205  1
  C  C5  8  0.0773  0.2685  0.9999  1
  C  C6  4  0.2500  0.2500  0.5000  1
]