data_LiBi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.11
_cell_angle_alpha   101.41
_cell_angle_beta   101.41
_cell_angle_gamma   44.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Rh
_chemical_formula_sum   'Li1 Bi2 Rh1'
_cell_volume   89.44
_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  Li2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.15  0.0  0.62  1.0
  Bi  Bi1  1  0.07  0.0  0.36  1.0
  Rh  Rh3  1  0.61  0.0  0.99  1.0

data_LiBi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.61
_cell_length_c   6.11
_cell_angle_alpha   101.41
_cell_angle_beta   90.0
_cell_angle_gamma   112.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Rh
_chemical_formula_sum   'Li1 Bi2 Rh1'
_cell_volume   89.44
_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
  Bi  Bi1  1  0.0  0.85  0.38  1.0
  Bi  Bi2  1  0.0  0.93  0.64  1.0
  Rh  Rh3  1  0.0  0.39  0.01  1.0

Li Bi Bi Rh
Li Bi Bi Rh 0 3 - o - 0 2 o o o 1 2 o o o 