data_ScAl2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.95
_cell_angle_alpha   103.56
_cell_angle_beta   103.56
_cell_angle_gamma   38.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Rh
_chemical_formula_sum   'Sc1 Al2 Rh1'
_cell_volume   67.58
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.21  0.0  0.39  1.0
  Al  Al1  1  0.51  0.0  0.4  1.0
  Rh  Rh2  1  0.86  0.0  0.4  1.0

data_ScAl2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.75
_cell_length_c   4.95
_cell_angle_alpha   103.56
_cell_angle_beta   90.0
_cell_angle_gamma   109.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Rh
_chemical_formula_sum   'Sc1 Al2 Rh1'
_cell_volume   67.58
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.49  0.6  1.0
  Al  Al2  1  0.0  0.79  0.61  1.0
  Rh  Rh3  1  0.0  0.14  0.6  1.0

Sc Al Al Rh
Sc Al Al Rh 0 3 - o o 0 1 o o o 1 3 - o o 1 2 o o o 2 3 o o o 