data_YTa2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   139.73
_cell_angle_beta   139.73
_cell_angle_gamma   58.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Rh
_chemical_formula_sum   'Y1 Ta2 Rh1'
_cell_volume   78.33
_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
  Ta  Ta1  1  0.0  0.98  0.51  1.0
  Ta  Ta2  1  0.98  0.0  0.51  1.0
  Rh  Rh0  1  0.0  0.0  0.01  1.0

data_YTa2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   119.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTa2Rh
_chemical_formula_sum   'Y2 Ta4 Rh2'
_cell_volume   156.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  4  0.02  0.49  0.53  1.0
  Rh  Rh2  2  0.01  0.0  0.01  1.0

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