data_[Co2Si4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2932]
_cell_length_b [3.5989]
_cell_length_c [6.2751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co(SiSe2)2]
_chemical_formula_sum '[Co2 Si4 Se8]'
_cell_volume [267.7422]
_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
[
  Co  Co0  2  0.0000  0.0000  0.0000  1
  Si  Si1  4  0.2361  0.5000  0.7150  1
  Se  Se2  4  0.1166  0.0000  0.4369  1
  Se  Se3  4  0.1204  0.5000  0.9759  1
]