data_[Li3Sm9Cu24]
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 [R3m]
_cell_length_a [5.2067]
_cell_length_b [5.2067]
_cell_length_c [25.7787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiSm3Cu8]
_chemical_formula_sum '[Li3 Sm9 Cu24]'
_cell_volume [605.2257]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8710  1
  Sm  Sm1  3  0.0000  0.0000  0.3803  1
  Sm  Sm2  3  0.0000  0.0000  0.5072  1
  Sm  Sm3  3  0.0000  0.0000  0.9907  1
  Cu  Cu4  9  0.0012  0.5006  0.4392  1
  Cu  Cu5  9  0.0083  0.5042  0.9361  1
  Cu  Cu6  3  0.0000  0.0000  0.1887  1
  Cu  Cu7  3  0.0000  0.0000  0.6865  1
]