data_Li2GeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   135.6
_cell_angle_beta   128.46
_cell_angle_gamma   70.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeSe
_chemical_formula_sum   'Li2 Ge1 Se1'
_cell_volume   68.88
_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  Li1  1  0.0  0.19  1.0  1.0
  Li  Li2  1  0.91  0.0  0.12  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.12  1.0

data_Li2GeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.39
_cell_length_c   5.04
_cell_angle_alpha   115.77
_cell_angle_beta   112.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeSe
_chemical_formula_sum   'Li2 Ge1 Se1'
_cell_volume   68.88
_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  0.0  0.12  0.22  1.0
  Li  Li1  1  0.81  0.8  0.8  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.12  0.12  1.0

Li Li Ge Se