data_YTc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.03
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2Rh
_chemical_formula_sum   'Y1 Tc2 Rh1'
_cell_volume   70.78
_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  Y3  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.43  0.02  0.27  1.0
  Tc  Tc2  1  0.43  0.02  0.87  1.0
  Rh  Rh0  1  0.0  0.0  0.07  1.0

data_YTc2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.03
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2Rh
_chemical_formula_sum   'Y1 Tc2 Rh1'
_cell_volume   70.78
_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  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.43  0.02  0.27  1.0
  Tc  Tc2  1  0.43  0.02  0.87  1.0
  Rh  Rh3  1  0.0  0.0  0.07  1.0

Y Tc Tc Rh
Y Tc Tc Rh 0 3 o o o 0 1 o o o 0 2 o o - 0 2 - o - 1 3 o o o 1 3 + o o 2 3 o o + 