data_Y2TiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   37.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiRh
_chemical_formula_sum   'Y2 Ti1 Rh1'
_cell_volume   94.03
_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
  Y  Y2  1  0.1  0.0  0.33  1.0
  Y  Y3  1  0.0  0.0  0.25  1.0
  Ti  Ti1  1  0.0  0.0  0.91  1.0
  Rh  Rh0  1  0.1  0.0  0.55  1.0

data_Y2TiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.19
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   108.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiRh
_chemical_formula_sum   'Y2 Ti1 Rh1'
_cell_volume   94.03
_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
  Y  Y0  1  0.67  0.1  0.67  1.0
  Y  Y1  1  0.75  0.0  0.75  1.0
  Ti  Ti2  1  0.09  0.0  0.09  1.0
  Rh  Rh3  1  0.45  0.1  0.45  1.0

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