data_[Nb4Co2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3306]
_cell_length_b [3.5003]
_cell_length_c [6.3514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2CoSe4]
_chemical_formula_sum '[Nb4 Co2 Se8]'
_cell_volume [263.9691]
_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
[
  Nb  Nb0  4  0.2443  0.5000  0.6867  1.0
  Co  Co1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.0966  0.0000  0.4373  1.0
  Se  Se3  4  0.1301  0.5000  0.9699  1.0
]