data_ScRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   6.62
_cell_angle_alpha   104.25
_cell_angle_beta   104.25
_cell_angle_gamma   31.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh5
_chemical_formula_sum   'Sc1 Rh5'
_cell_volume   89.78
_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  Sc5  1  0.59  0.0  0.05  1.0
  Rh  Rh0  1  0.25  0.0  0.38  1.0
  Rh  Rh1  1  0.4  0.0  0.76  1.0
  Rh  Rh2  1  0.08  0.0  0.18  1.0
  Rh  Rh3  1  0.54  0.0  0.93  1.0
  Rh  Rh4  1  0.23  0.0  0.25  1.0

data_ScRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.18
_cell_length_c   6.62
_cell_angle_alpha   104.25
_cell_angle_beta   90.0
_cell_angle_gamma   105.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh5
_chemical_formula_sum   'Sc1 Rh5'
_cell_volume   89.78
_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  0.41  0.95  1.0
  Rh  Rh1  1  0.0  0.46  0.07  1.0
  Rh  Rh2  1  0.0  0.6  0.24  1.0
  Rh  Rh3  1  0.0  0.75  0.62  1.0
  Rh  Rh4  1  0.0  0.77  0.75  1.0
  Rh  Rh5  1  0.0  0.92  0.82  1.0

Sc Rh Rh Rh Rh Rh
Sc Rh Rh Rh Rh Rh 0 4 o o - 1 5 o o o 2 4 o o o 3 5 o o o 