data_[Li3Sm1Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9688]
_cell_length_b [4.9688]
_cell_length_c [8.1662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Li3SmCu8]
_chemical_formula_sum '[Li3 Sm1 Cu8]'
_cell_volume [174.6003]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0341  1.0
  Li  Li1  1  0.6667  0.3333  0.6013  1.0
  Li  Li2  1  0.6667  0.3333  0.9442  1.0
  Sm  Sm3  1  0.0000  0.0000  0.4350  1.0
  Cu  Cu4  3  0.1664  0.3328  0.7543  1.0
  Cu  Cu5  3  0.5022  0.0045  0.2404  1.0
  Cu  Cu6  1  0.3333  0.6667  0.5017  1.0
  Cu  Cu7  1  0.3333  0.6667  0.9997  1.0
]