data_ScAl2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.35
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   97.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Rh
_chemical_formula_sum   'Sc1 Al2 Rh1'
_cell_volume   65.56
_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  0.46  0.0  0.89  1.0
  Al  Al0  1  0.98  0.18  0.91  1.0
  Al  Al1  1  0.45  0.0  0.4  1.0
  Rh  Rh2  1  0.18  0.18  0.19  1.0

data_ScAl2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.35
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   97.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Rh
_chemical_formula_sum   'Sc1 Al2 Rh1'
_cell_volume   65.56
_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  0.46  0.0  0.89  1.0
  Al  Al1  1  0.45  0.0  0.4  1.0
  Al  Al2  1  0.98  0.18  0.91  1.0
  Rh  Rh3  1  0.18  0.18  0.19  1.0

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