data_[V12W4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2152]
_cell_length_b [4.2745]
_cell_length_c [6.5370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3WC]
_chemical_formula_sum '[V12 W4 C4]'
_cell_volume [254.1111]
_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  0.0504  0.0000  0.8487  1
  V  V1  4  0.1409  0.0000  0.4605  1
  V  V2  4  0.1675  0.5000  0.1195  1
  W  W3  4  0.1082  0.5000  0.6748  1
  C  C4  4  0.1753  0.0000  0.1425  1
]