data_[V12Pd4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9682]
_cell_length_b [4.0503]
_cell_length_c [7.7601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3PdC]
_chemical_formula_sum '[V12 Pd4 C4]'
_cell_volume [249.2614]
_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
[
  V  V0  4  0.1277  0.0000  0.1894  1.0
  V  V1  4  0.1315  0.5000  0.9397  1.0
  V  V2  4  0.1353  0.0000  0.6761  1.0
  Pd  Pd3  4  0.1240  0.5000  0.4382  1.0
  C  C4  4  0.1177  0.0000  0.9232  1.0
]