data_TiSb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   40.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Rh
_chemical_formula_sum   'Ti1 Sb2 Rh1'
_cell_volume   79.98
_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
  Ti  Ti3  1  0.0  0.0  0.59  1.0
  Sb  Sb1  1  0.09  0.0  0.22  1.0
  Sb  Sb2  1  0.0  0.0  0.46  1.0
  Rh  Rh0  1  0.09  0.0  0.99  1.0

data_TiSb2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.17
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   110.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Rh
_chemical_formula_sum   'Ti1 Sb2 Rh1'
_cell_volume   79.98
_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
  Ti  Ti0  1  0.41  0.0  0.41  1.0
  Sb  Sb1  1  0.54  0.0  0.54  1.0
  Sb  Sb2  1  0.78  0.09  0.78  1.0
  Rh  Rh3  1  0.01  0.09  0.01  1.0

Ti Sb Sb Rh
Ti Sb Sb Rh 0 2 o o o 1 2 o o o 1 3 o o - 