data_LiSiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   3.93
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiP2
_chemical_formula_sum   'Li1 Si1 P2'
_cell_volume   68.4
_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  0.7  1.0
  Si  Si3  1  0.36  0.96  0.96  1.0
  P  P1  1  0.36  0.96  0.19  1.0
  P  P2  1  0.0  0.0  0.11  1.0

data_LiSiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.93
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiP2
_chemical_formula_sum   'Li1 Si1 P2'
_cell_volume   68.4
_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  0.7  1.0
  Si  Si1  1  0.36  0.96  0.96  1.0
  P  P2  1  0.0  0.0  0.11  1.0
  P  P3  1  0.36  0.96  0.19  1.0

Li Si P P
Li Si P P 0 1 o - o 1 3 o + + 1 2 o o + 2 3 o + o 