data_[Li2Ac1Tm1Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5158]
_cell_length_b [4.5158]
_cell_length_c [7.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2AcTmGe2]
_chemical_formula_sum '[Li2 Ac1 Tm1 Ge2]'
_cell_volume [135.1012]
_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  2  0.3333  0.6667  0.6851  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Tm  Tm2  1  0.0000  0.0000  0.5000  1
  Ge  Ge3  2  0.3333  0.6667  0.2816  1
]