data_[Li2Tb2Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3422]
_cell_length_b [6.4477]
_cell_length_c [10.8472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiTbGa6]
_chemical_formula_sum '[Li2 Tb2 Ga12]'
_cell_volume [303.6853]
_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  2  0.0000  0.0000  0.8952  1.0
  Tb  Tb1  2  0.5000  0.0000  0.5927  1.0
  Ga  Ga2  4  0.0000  0.2062  0.1790  1.0
  Ga  Ga3  4  0.5000  0.2456  0.8431  1.0
  Ga  Ga4  2  0.0000  0.0000  0.3986  1.0
  Ga  Ga5  2  0.5000  0.0000  0.0696  1.0
]