data_YMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   127.35
_cell_angle_beta   127.35
_cell_angle_gamma   77.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMoRh2
_chemical_formula_sum   'Y1 Mo1 Rh2'
_cell_volume   69.54
_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
  Mo  Mo0  1  0.0  0.0  0.77  1.0
  Rh  Rh1  1  0.0  0.15  0.89  1.0
  Rh  Rh2  1  0.15  0.0  0.89  1.0

data_YMoRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   128.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMoRh2
_chemical_formula_sum   'Y2 Mo2 Rh4'
_cell_volume   139.07
_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
  Mo  Mo1  2  0.0  0.0  0.77  1.0
  Rh  Rh2  4  0.43  0.43  0.74  1.0

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