data_[Li8Sm6Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4847]
_cell_length_b [4.6425]
_cell_length_c [28.8971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Sm3Ga4]
_chemical_formula_sum '[Li8 Sm6 Ga8]'
_cell_volume [467.4889]
_cell_formula_units_Z [2]
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  0.0000  0.0922  1.0
  Li  Li1  4  0.0000  0.5000  0.2425  1.0
  Sm  Sm2  4  0.0000  0.0000  0.3573  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga4  4  0.0000  0.0000  0.1832  1.0
  Ga  Ga5  4  0.0000  0.5000  0.0471  1.0
]