data_[K2Co4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [8.2294]
_cell_length_b [3.6238]
_cell_length_c [9.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCo2Se3]
_chemical_formula_sum '[K2 Co4 Se6]'
_cell_volume [254.2601]
_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
[
  K  K0  2  0.0243  0.7500  0.7697  1
  Co  Co1  2  0.4719  0.7500  0.6556  1
  Co  Co2  2  0.4743  0.2500  0.8930  1
  Se  Se3  2  0.2639  0.2500  0.6358  1
  Se  Se4  2  0.3304  0.2500  0.0611  1
  Se  Se5  2  0.3498  0.7500  0.3734  1
]