data_[Li4Tb12In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3199]
_cell_length_b [4.6621]
_cell_length_c [15.0251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(TbIn)3]
_chemical_formula_sum '[Li4 Tb12 In12]'
_cell_volume [750.0082]
_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  4  0.2423  0.0000  0.3990  1
  Tb  Tb1  4  0.0391  0.5000  0.3848  1
  Tb  Tb2  4  0.0956  0.5000  0.9184  1
  Tb  Tb3  4  0.2379  0.5000  0.2205  1
  In  In4  4  0.0295  0.0000  0.2370  1
  In  In5  4  0.1213  0.0000  0.0727  1
  In  In6  4  0.1339  0.0000  0.5534  1
]