data_[Nb1V1C1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [P3m1]
_cell_length_a [3.2348]
_cell_length_b [3.2348]
_cell_length_c [9.6460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NbVCSe2]
_chemical_formula_sum '[Nb1 V1 C1 Se2]'
_cell_volume [87.4129]
_cell_formula_units_Z [1]
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
[
  Nb  Nb0  1  0.3333  0.6667  0.8857  1
  V  V1  1  0.6667  0.3333  0.1162  1
  C  C2  1  0.0000  0.0000  0.0123  1
  Se  Se3  1  0.3333  0.6667  0.2921  1
  Se  Se4  1  0.6667  0.3333  0.6937  1
]