data_[Rb2Nb2Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P2_1/m]
_cell_length_a [9.1532]
_cell_length_b [3.6796]
_cell_length_c [9.8991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbNbCoSe3]
_chemical_formula_sum '[Rb2 Nb2 Co2 Se6]'
_cell_volume [296.6193]
_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
[
  Rb  Rb0  2  0.2450  0.7500  0.2561  1
  Nb  Nb1  2  0.2935  0.2500  0.8250  1
  Co  Co2  2  0.0858  0.7500  0.6067  1
  Se  Se3  2  0.1093  0.7500  0.8558  1
  Se  Se4  2  0.2101  0.2500  0.5425  1
  Se  Se5  2  0.4736  0.2500  0.1358  1
]