data_[Li4In4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5478]
_cell_length_b [5.5359]
_cell_length_c [9.9256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiInSeO]
_chemical_formula_sum '[Li4 In4 Se4 O4]'
_cell_volume [304.7962]
_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  4  0.2046  0.9728  0.3840  1
  In  In1  4  0.2464  0.0016  0.8991  1
  Se  Se2  4  0.2026  0.4746  0.3506  1
  O  O3  2  0.0000  0.2497  0.0000  1
  O  O4  2  0.0000  0.7523  0.0000  1
]