data_LiSc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.32
_cell_angle_alpha   95.11
_cell_angle_beta   95.11
_cell_angle_gamma   41.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Rh
_chemical_formula_sum   'Li1 Sc2 Rh1'
_cell_volume   78.94
_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
  Sc  Sc2  1  0.99  0.0  0.78  1.0
  Sc  Sc3  1  0.53  0.0  0.51  1.0
  Rh  Rh1  1  0.76  0.0  0.14  1.0

data_LiSc2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.35
_cell_length_c   6.32
_cell_angle_alpha   95.11
_cell_angle_beta   90.0
_cell_angle_gamma   110.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Rh
_chemical_formula_sum   'Li1 Sc2 Rh1'
_cell_volume   78.94
_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
  Sc  Sc1  1  0.0  0.01  0.22  1.0
  Sc  Sc2  1  0.0  0.47  0.49  1.0
  Rh  Rh3  1  0.0  0.24  0.86  1.0

Li Sc Sc Rh