data_ScBiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.41
_cell_angle_alpha   91.4
_cell_angle_beta   91.4
_cell_angle_gamma   95.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiRh2
_chemical_formula_sum   'Sc1 Bi1 Rh2'
_cell_volume   72.13
_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  Sc3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.09  0.0  0.0  1.0
  Rh  Rh1  1  0.48  0.29  0.7  1.0
  Rh  Rh2  1  0.48  0.71  0.7  1.0

data_ScBiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   95.88
_cell_angle_beta   91.4
_cell_angle_gamma   91.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiRh2
_chemical_formula_sum   'Sc1 Bi1 Rh2'
_cell_volume   72.13
_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
  Bi  Bi1  1  -0.0  0.09  0.0  1.0
  Rh  Rh2  1  0.7  0.48  0.29  1.0
  Rh  Rh3  1  0.7  0.48  0.71  1.0

Sc Bi Rh Rh
Sc Bi Rh Rh 0 1 o o o 1 2 o o - 2 3 o o o 