data_[Li6Tm6In6]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8735]
_cell_length_b [12.4376]
_cell_length_c [6.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiTmIn]
_chemical_formula_sum '[Li6 Tm6 In6]'
_cell_volume [420.9724]
_cell_formula_units_Z [6]
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  0.5000  0.1124  0.8921  1.0
  Li  Li1  2  0.5000  0.0000  0.2336  1.0
  Tm  Tm2  4  0.0000  0.2212  0.2150  1.0
  Tm  Tm3  2  0.0000  0.0000  0.5554  1.0
  In  In4  4  0.5000  0.1694  0.4943  1.0
  In  In5  2  0.0000  0.0000  0.0078  1.0
]