data_ScRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   99.8
_cell_angle_beta   99.8
_cell_angle_gamma   131.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh4
_chemical_formula_sum   'Sc1 Rh4'
_cell_volume   75.13
_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  Sc4  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.89  0.61  0.98  1.0
  Rh  Rh1  1  0.19  0.47  0.0  1.0
  Rh  Rh2  1  0.69  0.19  0.0  1.0
  Rh  Rh3  1  0.39  0.89  0.98  1.0

data_ScRh4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   80.2
_cell_angle_beta   65.63
_cell_angle_gamma   65.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh4
_chemical_formula_sum   'Sc1 Rh4'
_cell_volume   75.13
_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
  Rh  Rh1  1  0.19  -0.0  0.5  1.0
  Rh  Rh2  1  0.47  -0.0  0.72  1.0
  Rh  Rh3  1  0.63  0.98  0.28  1.0
  Rh  Rh4  1  0.92  0.98  0.5  1.0

Sc Rh Rh Rh Rh