data_Ti2BiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   4.21
_cell_angle_alpha   112.43
_cell_angle_beta   112.43
_cell_angle_gamma   40.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiRh
_chemical_formula_sum   'Ti2 Bi1 Rh1'
_cell_volume   71.53
_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  Ti2  1  0.11  0.0  0.03  1.0
  Ti  Ti3  1  0.22  0.0  0.92  1.0
  Bi  Bi0  1  0.09  0.0  0.89  1.0
  Rh  Rh1  1  0.07  0.0  0.92  1.0

data_Ti2BiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.21
_cell_length_c   5.35
_cell_angle_alpha   112.43
_cell_angle_beta   110.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiRh
_chemical_formula_sum   'Ti2 Bi1 Rh1'
_cell_volume   71.53
_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  0.03  0.11  1.0
  Ti  Ti1  1  0.0  0.92  0.22  1.0
  Bi  Bi2  1  0.0  0.89  0.09  1.0
  Rh  Rh3  1  0.0  0.92  0.07  1.0

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