data_TiCrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   145.55
_cell_angle_beta   131.47
_cell_angle_gamma   60.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrRh2
_chemical_formula_sum   'Ti1 Cr1 Rh2'
_cell_volume   57.56
_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  0.46  1.0
  Cr  Cr0  1  0.0  0.12  0.16  1.0
  Rh  Rh1  1  0.0  0.0  0.81  1.0
  Rh  Rh2  1  0.53  0.0  0.36  1.0

data_TiCrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.24
_cell_length_c   5.16
_cell_angle_alpha   114.26
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrRh2
_chemical_formula_sum   'Ti1 Cr1 Rh2'
_cell_volume   57.56
_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  0.54  0.54  0.54  1.0
  Cr  Cr1  1  0.84  0.95  0.95  1.0
  Rh  Rh2  1  0.17  0.64  0.17  1.0
  Rh  Rh3  1  0.19  0.19  0.19  1.0

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