data_[Li2Tm10In12]
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 [Immm]
_cell_length_a [5.1630]
_cell_length_b [7.4243]
_cell_length_c [15.5752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [LiTm5In6]
_chemical_formula_sum '[Li2 Tm10 In12]'
_cell_volume [597.0150]
_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  0.0000  1
  Tm  Tm1  4  0.0000  0.0000  0.3368  1
  Tm  Tm2  4  0.0000  0.5000  0.3297  1
  Tm  Tm3  2  0.0000  0.5000  0.0000  1
  In  In4  8  0.0000  0.2402  0.1608  1
  In  In5  4  0.0000  0.2707  0.5000  1
]