data_ScBeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   144.88
_cell_angle_beta   144.88
_cell_angle_gamma   50.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeRh
_chemical_formula_sum   'Sc1 Be1 Rh1'
_cell_volume   43.32
_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  0.07  1.0
  Be  Be0  1  0.0  0.0  0.27  1.0
  Rh  Rh1  1  0.0  0.0  0.86  1.0

data_ScBeRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   115.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBeRh
_chemical_formula_sum   'Sc2 Be2 Rh2'
_cell_volume   86.63
_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  0.07  0.0  0.07  1.0
  Be  Be1  2  0.27  0.0  0.27  1.0
  Rh  Rh2  2  0.36  0.5  0.86  1.0

Sc Be Rh
Sc Be Rh 0 2 o o - 0 1 o o o 