data_Sc2RhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   155.81
_cell_angle_beta   153.39
_cell_angle_gamma   36.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RhCl
_chemical_formula_sum   'Sc2 Rh1 Cl1'
_cell_volume   80.38
_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  0.96  1.0
  Sc  Sc3  1  0.59  0.0  0.12  1.0
  Rh  Rh1  1  0.0  0.75  0.86  1.0
  Cl  Cl0  1  0.0  0.0  0.5  1.0

data_Sc2RhCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.5
_cell_length_c   7.6
_cell_angle_alpha   103.31
_cell_angle_beta   102.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RhCl
_chemical_formula_sum   'Sc2 Rh1 Cl1'
_cell_volume   80.38
_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  0.04  0.04  0.04  1.0
  Sc  Sc1  1  0.48  0.88  0.48  1.0
  Rh  Rh2  1  0.14  0.88  0.88  1.0
  Cl  Cl3  1  0.5  0.5  0.5  1.0

Sc Sc Rh Cl
Sc Sc Rh Cl 0 2 o - o 1 3 + o o 