data_Sc2GeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   8.81
_cell_length_c   8.81
_cell_angle_alpha   21.27
_cell_angle_beta   21.27
_cell_angle_gamma   21.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GeRh
_chemical_formula_sum   'Sc2 Ge1 Rh1'
_cell_volume   78.89
_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  0.53  1.0
  Sc  Sc3  1  0.0  0.0  0.62  1.0
  Ge  Ge0  1  0.0  0.0  0.19  1.0
  Rh  Rh1  1  0.0  0.0  0.23  1.0

data_Sc2GeRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   3.25
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   102.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2GeRh
_chemical_formula_sum   'Sc4 Ge2 Rh2'
_cell_volume   157.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.38  1.0
  Sc  Sc1  2  0.0  0.0  0.47  1.0
  Ge  Ge2  2  0.0  0.0  0.81  1.0
  Rh  Rh3  2  0.0  0.0  0.77  1.0

Sc Sc Ge Rh
Sc Sc Ge Rh 0 1 o o o 2 3 o o o 