data_TaTiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.05
_cell_angle_alpha   99.85
_cell_angle_beta   99.85
_cell_angle_gamma   36.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiRh2
_chemical_formula_sum   'Ta1 Ti1 Rh2'
_cell_volume   63.12
_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
  Ta  Ta2  1  0.96  0.0  0.48  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.35  0.0  0.21  1.0
  Rh  Rh1  1  0.57  0.0  0.76  1.0

data_TaTiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.64
_cell_length_c   5.05
_cell_angle_alpha   99.85
_cell_angle_beta   90.0
_cell_angle_gamma   108.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiRh2
_chemical_formula_sum   'Ta1 Ti1 Rh2'
_cell_volume   63.12
_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
  Ta  Ta0  1  0.0  0.04  0.52  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.43  0.24  1.0
  Rh  Rh3  1  0.0  0.65  0.79  1.0

Ta Ti Rh Rh
Ta Ti Rh Rh 0 2 o o o 0 2 + o o 0 3 o o o 0 3 + o o 0 0 + - o 0 1 + o o 0 1 + o + 1 2 o o o 1 3 - o - 2 3 o o o 2 3 o o - 3 3 + - o 