data_LiGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   4.4
_cell_angle_alpha   109.59
_cell_angle_beta   109.59
_cell_angle_gamma   36.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGeAs2
_chemical_formula_sum   'Li1 Ge1 As2'
_cell_volume   80.08
_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  0.76  0.0  0.4  1.0
  Ge  Ge2  1  0.95  0.0  0.89  1.0
  As  As0  1  0.47  0.0  0.64  1.0
  As  As1  1  0.07  0.0  0.37  1.0

data_LiGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.4
_cell_length_c   5.71
_cell_angle_alpha   109.59
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGeAs2
_chemical_formula_sum   'Li1 Ge1 As2'
_cell_volume   80.08
_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  0.4  0.76  1.0
  Ge  Ge1  1  0.0  0.89  0.95  1.0
  As  As2  1  0.0  0.37  0.07  1.0
  As  As3  1  0.0  0.64  0.47  1.0

Li Ge As As