data_K2LiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   143.03
_cell_angle_beta   143.03
_cell_angle_gamma   53.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiP2
_chemical_formula_sum   'K2 Li1 P2'
_cell_volume   144.1
_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
  K  K0  1  0.0  0.34  0.3  1.0
  K  K1  1  0.34  0.0  0.3  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.66  1.0
  P  P4  1  0.0  0.0  0.53  1.0

data_K2LiP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   116.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2LiP2
_chemical_formula_sum   'K4 Li2 P4'
_cell_volume   288.21
_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
  K  K0  4  0.13  0.17  0.96  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.03  0.5  0.53  1.0
  P  P3  2  0.16  0.5  0.66  1.0

K K Li P P
K K Li P P 0 2 o o o 1 2 o o o 3 4 o o o 