data_[Sc4V2Mo2C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.6797]
_cell_length_b [5.6797]
_cell_length_c [7.7916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sc2VMoC6]
_chemical_formula_sum '[Sc4 V2 Mo2 C12]'
_cell_volume [251.3504]
_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  0.0000  0.5000  0.2500  1
  V  V1  2  0.0000  0.0000  0.5000  1
  Mo  Mo2  2  0.0000  0.0000  0.0000  1
  C  C3  8  0.1196  0.6360  0.0000  1
  C  C4  4  0.0000  0.0000  0.2547  1
]