data_Li2PRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PRh
_chemical_formula_sum   'Li2 P1 Rh1'
_cell_volume   57.23
_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  0.96  1.0
  Li  Li1  1  0.53  0.53  0.73  1.0
  P  P2  1  0.0  0.0  0.26  1.0
  Rh  Rh3  1  0.53  0.53  0.35  1.0

data_Li2PRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2PRh
_chemical_formula_sum   'Li4 P2 Rh2'
_cell_volume   114.46
_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  0.96  1.0
  Li  Li1  2  0.03  0.5  0.73  1.0
  P  P2  2  0.0  0.0  0.26  1.0
  Rh  Rh3  2  0.03  0.5  0.35  1.0

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