data_LiGeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   130.15
_cell_angle_beta   130.15
_cell_angle_gamma   73.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGeP2
_chemical_formula_sum   'Li1 Ge1 P2'
_cell_volume   63.85
_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  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.87  1.0
  P  P2  1  0.03  0.0  0.93  1.0
  P  P3  1  0.0  0.03  0.93  1.0

data_LiGeP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   126.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiGeP2
_chemical_formula_sum   'Li2 Ge2 P4'
_cell_volume   127.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.87  1.0
  P  P2  4  0.48  0.48  0.9  1.0

Li Ge P P
Li Ge P P 0 3 o o - 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o o 