data_[Fe4Co2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0847]
_cell_length_b [3.5243]
_cell_length_c [6.1575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Fe2CoSe4]
_chemical_formula_sum '[Fe4 Co2 Se8]'
_cell_volume [229.5298]
_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
[
  Fe  Fe0  2  0.2600  0.5000  0.7848  1.0
  Fe  Fe1  2  0.4992  0.0000  0.4975  1.0
  Co  Co2  2  0.2386  0.0000  0.2139  1.0
  Se  Se3  2  0.1199  0.5000  0.9534  1.0
  Se  Se4  2  0.1378  0.0000  0.4767  1.0
  Se  Se5  2  0.3645  0.5000  0.5265  1.0
  Se  Se6  2  0.3799  0.0000  0.0471  1.0
]