data_ScTiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   124.0
_cell_angle_beta   121.49
_cell_angle_gamma   85.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiRh2
_chemical_formula_sum   'Sc1 Ti1 Rh2'
_cell_volume   63.67
_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  Sc2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.35  1.0
  Rh  Rh0  1  0.14  0.0  0.7  1.0
  Rh  Rh1  1  0.0  0.22  0.65  1.0

data_ScTiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.45
_cell_length_c   4.55
_cell_angle_alpha   119.26
_cell_angle_beta   118.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiRh2
_chemical_formula_sum   'Sc1 Ti1 Rh2'
_cell_volume   63.67
_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
  Ti  Ti1  1  0.0  0.35  0.35  1.0
  Rh  Rh2  1  0.0  0.7  0.56  1.0
  Rh  Rh3  1  0.78  0.43  0.43  1.0

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