data_[Li4Ru4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.4466]
_cell_length_b [4.9313]
_cell_length_c [9.0148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiRuSeO]
_chemical_formula_sum '[Li4 Ru4 Se4 O4]'
_cell_volume [237.8767]
_cell_formula_units_Z [4]
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
[
  Li  Li0  2  0.2684  0.9135  0.5465  1
  Li  Li1  2  0.3891  0.1183  0.1985  1
  Ru  Ru2  2  0.0611  0.8415  0.8517  1
  Ru  Ru3  2  0.3658  0.2103  0.8703  1
  Se  Se4  2  0.1020  0.4955  0.6625  1
  Se  Se5  2  0.3267  0.5877  0.2874  1
  O  O6  2  0.1224  0.1269  0.0198  1
  O  O7  2  0.3844  0.6063  0.9433  1
]