data_[Co2Ru2Se4]
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 [Cm]
_cell_length_a [7.9605]
_cell_length_b [3.6957]
_cell_length_c [6.1644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoRuSe2]
_chemical_formula_sum '[Co2 Ru2 Se4]'
_cell_volume [180.6153]
_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  0.0174  0.5000  0.3296  1
  Ru  Ru1  2  0.2484  0.0000  0.4111  1
  Se  Se2  2  0.0338  0.0000  0.1129  1
  Se  Se3  2  0.2004  0.5000  0.6464  1
]