data_YRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   6.7
_cell_angle_alpha   103.64
_cell_angle_beta   103.64
_cell_angle_gamma   31.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRh5
_chemical_formula_sum   'Y1 Rh5'
_cell_volume   95.05
_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  Y5  1  0.74  0.0  0.13  1.0
  Rh  Rh0  1  0.43  0.0  0.48  1.0
  Rh  Rh1  1  0.52  0.0  0.83  1.0
  Rh  Rh2  1  0.22  0.0  0.26  1.0
  Rh  Rh3  1  0.56  0.0  0.92  1.0
  Rh  Rh4  1  0.37  0.0  0.28  1.0

data_YRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.28
_cell_length_c   6.7
_cell_angle_alpha   103.64
_cell_angle_beta   90.0
_cell_angle_gamma   105.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRh5
_chemical_formula_sum   'Y1 Rh5'
_cell_volume   95.05
_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  0.26  0.87  1.0
  Rh  Rh1  1  0.0  0.44  0.08  1.0
  Rh  Rh2  1  0.0  0.48  0.17  1.0
  Rh  Rh3  1  0.0  0.57  0.52  1.0
  Rh  Rh4  1  0.0  0.63  0.72  1.0
  Rh  Rh5  1  0.0  0.78  0.74  1.0

Y Rh Rh Rh Rh Rh
Y Rh Rh Rh Rh Rh 0 4 o o - 1 5 o o o 1 3 o o o 2 4 o o o 3 5 o o o 