data_[Li4Cu8Se8]
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 [C2/c]
_cell_length_a [8.4013]
_cell_length_b [9.3274]
_cell_length_c [6.0784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(CuSe)2]
_chemical_formula_sum '[Li4 Cu8 Se8]'
_cell_volume [384.8112]
_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  0.0000  0.1435  0.2500  1
  Cu  Cu1  8  0.1443  0.3501  0.0225  1
  Se  Se2  4  0.0000  0.1327  0.7500  1
  Se  Se3  4  0.0000  0.4262  0.2500  1
]