data_[Li1Tm2Ge4]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0489]
_cell_length_b [3.9865]
_cell_length_c [8.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li(TmGe2)2]
_chemical_formula_sum '[Li1 Tm2 Ge4]'
_cell_volume [135.7549]
_cell_formula_units_Z [1]
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  1  0.1990  0.5000  0.8592  1.0
  Tm  Tm1  1  0.4012  0.5000  0.2893  1.0
  Tm  Tm2  1  0.6122  0.0000  0.7119  1.0
  Ge  Ge3  1  0.0426  0.5000  0.5797  1.0
  Ge  Ge4  1  0.2561  0.0000  0.0209  1.0
  Ge  Ge5  1  0.7802  0.5000  0.0278  1.0
  Ge  Ge6  1  0.9486  0.0000  0.3912  1.0
]