data_Li2PRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.51
_cell_angle_alpha   108.7
_cell_angle_beta   108.7
_cell_angle_gamma   40.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PRh
_chemical_formula_sum   'Li2 P1 Rh1'
_cell_volume   53.08
_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  0.97  0.0  0.16  1.0
  Li  Li1  1  0.04  0.0  0.9  1.0
  P  P2  1  0.26  0.0  0.48  1.0
  Rh  Rh3  1  0.84  0.0  0.82  1.0

data_Li2PRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.41
_cell_length_c   4.51
_cell_angle_alpha   108.7
_cell_angle_beta   90.0
_cell_angle_gamma   110.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PRh
_chemical_formula_sum   'Li2 P1 Rh1'
_cell_volume   53.08
_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  0.03  0.84  1.0
  Li  Li1  1  0.0  0.96  0.1  1.0
  P  P2  1  0.0  0.74  0.52  1.0
  Rh  Rh3  1  0.0  0.16  0.18  1.0

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