data_ScAsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   140.91
_cell_angle_beta   132.45
_cell_angle_gamma   63.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAsRh2
_chemical_formula_sum   'Sc1 As1 Rh2'
_cell_volume   63.07
_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  Sc3  1  0.0  0.0  0.45  1.0
  As  As0  1  0.0  0.08  0.33  1.0
  Rh  Rh1  1  0.0  0.0  0.63  1.0
  Rh  Rh2  1  0.73  0.0  0.17  1.0

data_ScAsRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.16
_cell_length_c   5.16
_cell_angle_alpha   113.78
_cell_angle_beta   109.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAsRh2
_chemical_formula_sum   'Sc1 As1 Rh2'
_cell_volume   63.07
_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  0.45  0.45  1.0
  As  As1  1  0.92  0.25  0.25  1.0
  Rh  Rh2  1  0.0  0.17  0.44  1.0
  Rh  Rh3  1  0.0  0.63  0.63  1.0

Sc As Rh Rh