data_ScRhCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   4.25
_cell_angle_alpha   95.77
_cell_angle_beta   95.77
_cell_angle_gamma   29.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhCl2
_chemical_formula_sum   'Sc1 Rh1 Cl2'
_cell_volume   95.18
_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
  Rh  Rh2  1  0.36  0.0  0.11  1.0
  Cl  Cl0  1  0.36  0.0  0.87  1.0
  Cl  Cl1  1  0.37  0.0  0.36  1.0

data_ScRhCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.25
_cell_length_c   6.8
_cell_angle_alpha   95.77
_cell_angle_beta   104.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhCl2
_chemical_formula_sum   'Sc1 Rh1 Cl2'
_cell_volume   95.18
_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
  Rh  Rh1  1  0.0  0.11  0.36  1.0
  Cl  Cl2  1  0.0  0.36  0.37  1.0
  Cl  Cl3  1  0.0  0.87  0.36  1.0

Sc Rh Cl Cl