data_LiGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.78
_cell_angle_alpha   102.17
_cell_angle_beta   102.17
_cell_angle_gamma   34.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe2As
_chemical_formula_sum   'Li1 Ge2 As1'
_cell_volume   73.31
_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  Li3  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.71  0.0  0.42  1.0
  Ge  Ge2  1  0.29  0.0  0.24  1.0
  As  As0  1  0.5  0.0  0.33  1.0

data_LiGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.78
_cell_length_c   5.27
_cell_angle_alpha   102.17
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe2As
_chemical_formula_sum   'Li1 Ge2 As1'
_cell_volume   73.31
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.24  0.29  1.0
  Ge  Ge2  1  0.0  0.42  0.71  1.0
  As  As3  1  0.0  0.33  0.5  1.0

Li Ge Ge As