data_[V8C2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4410]
_cell_length_b [3.2592]
_cell_length_c [6.9594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V4CSe5]
_chemical_formula_sum '[V8 C2 Se10]'
_cell_volume [341.4354]
_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  0.0021  0.0000  0.8061  1.0
  V  V1  4  0.1311  0.5000  0.0689  1.0
  Se  Se2  4  0.1581  0.0000  0.3385  1.0
  Se  Se3  4  0.1683  0.0000  0.8340  1.0
  C  C4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]