data_[V2Co4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2310]
_cell_length_b [3.5198]
_cell_length_c [9.7953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VCo2Se3]
_chemical_formula_sum '[V2 Co4 Se6]'
_cell_volume [237.3876]
_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  2  0.2117  0.2500  0.7036  1.0
  Co  Co1  2  0.0485  0.2500  0.4342  1.0
  Co  Co2  2  0.4064  0.7500  0.9138  1.0
  Se  Se3  2  0.0650  0.7500  0.8187  1.0
  Se  Se4  2  0.2650  0.7500  0.5127  1.0
  Se  Se5  2  0.4455  0.7500  0.1648  1.0
]