data_[Li6Tm6Si6]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.1387]
_cell_length_b [4.1914]
_cell_length_c [6.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LiTmSi]
_chemical_formula_sum '[Li6 Tm6 Si6]'
_cell_volume [350.7951]
_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  0.1352  0.5000  0.4251  1.0
  Li  Li1  2  0.2500  0.5000  0.7688  1.0
  Tm  Tm2  4  0.0385  0.0000  0.7536  1.0
  Tm  Tm3  2  0.2500  0.0000  0.1191  1.0
  Si  Si4  4  0.0952  0.5000  0.0444  1.0
  Si  Si5  2  0.2500  0.0000  0.5417  1.0
]