data_LiInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.62
_cell_angle_alpha   98.07
_cell_angle_beta   98.07
_cell_angle_gamma   39.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInP2
_chemical_formula_sum   'Li1 In1 P2'
_cell_volume   81.6
_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
  In  In0  1  0.08  0.0  0.78  1.0
  P  P2  1  0.6  0.0  0.81  1.0
  P  P3  1  0.56  0.0  0.74  1.0

data_LiInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.79
_cell_length_c   5.62
_cell_angle_alpha   98.07
_cell_angle_beta   90.0
_cell_angle_gamma   109.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInP2
_chemical_formula_sum   'Li1 In1 P2'
_cell_volume   81.6
_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
  In  In1  1  0.0  0.92  0.22  1.0
  P  P2  1  0.0  0.4  0.19  1.0
  P  P3  1  0.0  0.44  0.26  1.0

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