data_[Li4Ac2In1Ge3]
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
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4841]
_cell_length_b [4.4841]
_cell_length_c [10.9533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li4Ac2InGe3]
_chemical_formula_sum '[Li4 Ac2 In1 Ge3]'
_cell_volume [220.2367]
_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  0.0000  0.5000  0.3588  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Li  Li2  1  0.5000  0.5000  0.0000  1
  Ac  Ac3  2  0.0000  0.5000  0.7698  1
  In  In4  1  0.5000  0.5000  0.5000  1
  Ge  Ge5  2  0.0000  0.5000  0.1266  1
  Ge  Ge6  1  0.0000  0.0000  0.5000  1
]