data_[V12P4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0067]
_cell_length_b [5.9595]
_cell_length_c [8.8631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [V6P2C]
_chemical_formula_sum '[V12 P4 C2]'
_cell_volume [220.6663]
_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
[
  V  V0  4  0.1096  0.6743  0.9511  1.0
  V  V1  4  0.2967  0.1905  0.9487  1.0
  V  V2  4  0.3559  0.5176  0.7377  1.0
  P  P3  4  0.1893  0.6127  0.2518  1.0
  C  C4  2  0.5000  0.0000  0.5000  1.0
]