data_Li3P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   6.55
_cell_angle_alpha   97.69
_cell_angle_beta   97.69
_cell_angle_gamma   136.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3P5
_chemical_formula_sum   'Li6 P10'
_cell_volume   285.75
_cell_formula_units_Z   2
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  0.41  0.08  0.04  1.0
  Li  Li1  1  0.41  0.92  0.04  1.0
  Li  Li2  1  0.41  0.0  0.67  1.0
  Li  Li3  1  0.39  0.0  0.55  1.0
  Li  Li4  1  0.32  0.41  0.15  1.0
  Li  Li5  1  0.32  0.59  0.15  1.0
  P  P6  1  0.17  0.0  0.78  1.0
  P  P7  1  0.84  0.0  0.19  1.0
  P  P8  1  0.71  0.83  0.04  1.0
  P  P9  1  0.63  0.26  1.0  1.0
  P  P10  1  0.75  0.1  0.63  1.0
  P  P11  1  0.99  0.91  0.51  1.0
  P  P12  1  0.63  0.74  1.0  1.0
  P  P13  1  0.71  0.17  0.04  1.0
  P  P14  1  0.99  0.09  0.51  1.0
  P  P15  1  0.75  0.9  0.63  1.0

data_Li3P5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.11
_cell_length_b   6.55
_cell_length_c   8.25
_cell_angle_alpha   82.31
_cell_angle_beta   68.28
_cell_angle_gamma   68.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3P5
_chemical_formula_sum   'Li6 P10'
_cell_volume   285.75
_cell_formula_units_Z   2
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  0.55  0.61  1.0
  Li  Li1  1  0.0  0.67  0.59  1.0
  Li  Li2  1  0.08  0.04  0.51  1.0
  Li  Li3  1  0.41  0.15  0.27  1.0
  Li  Li4  1  0.59  0.15  0.09  1.0
  Li  Li5  1  0.92  0.04  0.67  1.0
  P  P6  1  0.0  0.19  0.16  1.0
  P  P7  1  0.0  0.78  0.83  1.0
  P  P8  1  0.09  0.51  0.91  1.0
  P  P9  1  0.1  0.63  0.15  1.0
  P  P10  1  0.17  0.04  0.13  1.0
  P  P11  1  0.26  1.0  0.11  1.0
  P  P12  1  0.74  1.0  0.64  1.0
  P  P13  1  0.83  0.04  0.46  1.0
  P  P14  1  0.9  0.63  0.35  1.0
  P  P15  1  0.91  0.51  0.1  1.0

Li Li Li Li Li Li P P P P P P P P P P