data_[Y2Ru2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3613]
_cell_length_b [3.6521]
_cell_length_c [3.5174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YRuSe2]
_chemical_formula_sum '[Y2 Ru2 Se4]'
_cell_volume [171.6362]
_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
[
  Y  Y0  2  0.0553  0.5000  0.3788  1
  Ru  Ru1  2  0.2662  0.5000  0.8822  1
  Se  Se2  2  0.2188  0.0000  0.3619  1
  Se  Se3  2  0.4598  0.5000  0.8772  1
]