data_[Co2Ru2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9646]
_cell_length_b [4.9082]
_cell_length_c [7.0162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoRuSe4]
_chemical_formula_sum '[Co2 Ru2 Se8]'
_cell_volume [217.0066]
_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  1.0
  Ru  Ru1  2  0.5000  0.0000  0.5000  1.0
  Se  Se2  4  0.1812  0.2095  0.8148  1.0
  Se  Se3  4  0.3079  0.7144  0.1855  1.0
]