data_[Li12Tm8Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6849]
_cell_length_b [15.9706]
_cell_length_c [7.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(TmGa2)2]
_chemical_formula_sum '[Li12 Tm8 Ga16]'
_cell_volume [674.9037]
_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  0.2500  0.2354  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  8  0.0000  0.0996  0.6012  1.0
  Ga  Ga3  8  0.0000  0.1620  0.9890  1.0
  Ga  Ga4  8  0.2500  0.0690  0.2500  1.0
]