data_LiPt2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   131.66
_cell_angle_beta   131.66
_cell_angle_gamma   70.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPt2Rh
_chemical_formula_sum   'Li1 Pt2 Rh1'
_cell_volume   57.16
_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
  Pt  Pt1  1  0.0  0.93  0.92  1.0
  Pt  Pt2  1  0.93  0.0  0.92  1.0
  Rh  Rh3  1  0.0  0.0  0.84  1.0

data_LiPt2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   125.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiPt2Rh
_chemical_formula_sum   'Li2 Pt4 Rh2'
_cell_volume   114.32
_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  0.0  1.0
  Pt  Pt1  4  0.04  0.04  0.01  1.0
  Rh  Rh2  2  0.16  0.0  0.16  1.0

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