data_[K2La2Ru2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.8824]
_cell_length_b [6.8948]
_cell_length_c [9.2515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KLaRuSe4]
_chemical_formula_sum '[K2 La2 Ru2 Se8]'
_cell_volume [415.4001]
_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
[
  K  K0  2  0.2556  0.0108  0.5642  1
  La  La1  2  0.2297  0.0089  0.0441  1
  Ru  Ru2  2  0.2325  0.5087  0.8176  1
  Se  Se3  2  0.0161  0.7608  0.2262  1
  Se  Se4  2  0.0221  0.2579  0.2282  1
  Se  Se5  2  0.4089  0.5911  0.0760  1
  Se  Se6  2  0.4236  0.5384  0.6500  1
]