data_TiRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRh5
_chemical_formula_sum   'Ti1 Rh5'
_cell_volume   85.84
_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  Ti5  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.92  0.13  0.92  1.0
  Rh  Rh1  1  0.92  0.1  0.0  1.0
  Rh  Rh2  1  0.92  0.0  0.92  1.0
  Rh  Rh3  1  0.92  0.9  0.0  1.0
  Rh  Rh4  1  0.92  0.87  0.92  1.0

data_TiRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.85
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   108.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRh5
_chemical_formula_sum   'Ti1 Rh5'
_cell_volume   85.84
_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  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.08  0.08  1.0
  Rh  Rh2  1  0.1  0.0  0.18  1.0
  Rh  Rh3  1  0.13  0.08  0.21  1.0
  Rh  Rh4  1  0.87  0.08  0.95  1.0
  Rh  Rh5  1  0.9  0.0  0.98  1.0

Ti Rh Rh Rh Rh Rh
Ti Rh Rh Rh Rh Rh 0 4 - - o 0 3 - o - 1 2 o o + 2 3 o o - 3 4 o - + 4 5 o o - 