data_ScAs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.62
_cell_angle_alpha   103.52
_cell_angle_beta   103.52
_cell_angle_gamma   37.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAs2Rh
_chemical_formula_sum   'Sc1 As2 Rh1'
_cell_volume   69.51
_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  0.82  0.0  0.8  1.0
  As  As0  1  0.91  0.0  0.4  1.0
  As  As1  1  0.51  0.0  0.06  1.0
  Rh  Rh2  1  0.34  0.0  0.46  1.0

data_ScAs2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.62
_cell_length_c   5.03
_cell_angle_alpha   103.52
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAs2Rh
_chemical_formula_sum   'Sc1 As2 Rh1'
_cell_volume   69.51
_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  0.8  0.82  1.0
  As  As1  1  0.0  0.06  0.51  1.0
  As  As2  1  0.0  0.4  0.91  1.0
  Rh  Rh3  1  0.0  0.46  0.34  1.0

Sc As As Rh
Sc As As Rh 0 2 o o + 0 1 o o o 1 2 o o o 1 3 + o o 2 3 o o o 