data_[Ba1Sr1Li4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.6618]
_cell_length_b [6.3633]
_cell_length_c [6.4315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [BaSr(Li2Ge)2]
_chemical_formula_sum '[Ba1 Sr1 Li4 Ge2]'
_cell_volume [190.7860]
_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
[
  Ba  Ba0  1  0.5000  0.0000  0.0913  1
  Sr  Sr1  1  0.0000  0.5000  0.9119  1
  Li  Li2  2  0.0000  0.2899  0.4067  1
  Li  Li3  2  0.5000  0.2137  0.5946  1
  Ge  Ge4  1  0.0000  0.0000  0.7071  1
  Ge  Ge5  1  0.5000  0.5000  0.2870  1
]