data_[Li8Cu8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5068]
_cell_length_b [8.3208]
_cell_length_c [7.0821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiCuSe]
_chemical_formula_sum '[Li8 Cu8 Se8]'
_cell_volume [423.9333]
_cell_formula_units_Z [8]
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  0.1633  0.0965  0.4946  1.0
  Li  Li1  4  0.3649  0.3882  0.4596  1.0
  Cu  Cu2  4  0.0345  0.4001  0.5824  1.0
  Cu  Cu3  4  0.1648  0.3374  0.0054  1.0
  Se  Se4  4  0.0006  0.1356  0.7116  1.0
  Se  Se5  4  0.0109  0.3507  0.2285  1.0
]