data_[Li1Ac2Ga4Ge3]
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
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4255]
_cell_length_b [4.4255]
_cell_length_c [11.4986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [LiAc2Ga4Ge3]
_chemical_formula_sum '[Li1 Ac2 Ga4 Ge3]'
_cell_volume [225.2036]
_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  0.5000  0.5000  0.5000  1
  Ac  Ac1  2  0.0000  0.5000  0.7517  1
  Ga  Ga2  2  0.0000  0.5000  0.3696  1
  Ga  Ga3  1  0.0000  0.0000  0.0000  1
  Ga  Ga4  1  0.5000  0.5000  0.0000  1
  Ge  Ge5  2  0.0000  0.5000  0.1348  1
  Ge  Ge6  1  0.0000  0.0000  0.5000  1
]