data_Ba2LiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   5.51
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiGe
_chemical_formula_sum   'Ba2 Li1 Ge1'
_cell_volume   138.71
_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  0.06  0.75  0.48  1.0
  Ba  Ba1  1  0.34  0.0  1.0  1.0
  Li  Li3  1  0.23  0.0  0.31  1.0
  Ge  Ge2  1  0.78  0.75  0.82  1.0

data_Ba2LiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   5.51
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiGe
_chemical_formula_sum   'Ba2 Li1 Ge1'
_cell_volume   138.71
_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  0.06  0.75  0.48  1.0
  Ba  Ba1  1  0.34  0.0  1.0  1.0
  Li  Li2  1  0.23  0.0  0.31  1.0
  Ge  Ge3  1  0.78  0.75  0.82  1.0

Ba Ba Li Ge