data_[Li8Sm4Zn12]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.0707]
_cell_length_b [9.0892]
_cell_length_c [4.9004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2SmZn3]
_chemical_formula_sum '[Li8 Sm4 Zn12]'
_cell_volume [448.5514]
_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  8  0.2283  0.0000  0.0000  1.0
  Sm  Sm1  4  0.0000  0.2949  0.2500  1.0
  Zn  Zn2  8  0.1887  0.2616  0.7500  1.0
  Zn  Zn3  4  0.0000  0.0605  0.7500  1.0
]