data_Zr6Rh7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.8
_cell_length_b   9.8
_cell_length_c   9.8
_cell_angle_alpha   31.66
_cell_angle_beta   31.66
_cell_angle_gamma   31.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Rh7
_chemical_formula_sum   'Zr6 Rh7'
_cell_volume   230.57
_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
  Zr  Zr7  1  0.0  0.0  0.51  1.0
  Zr  Zr8  1  0.0  0.0  0.4  1.0
  Zr  Zr9  1  0.0  0.0  0.54  1.0
  Zr  Zr10  1  0.0  0.0  0.38  1.0
  Zr  Zr11  1  0.0  0.0  0.64  1.0
  Zr  Zr12  1  0.0  0.0  0.27  1.0
  Rh  Rh0  1  0.0  0.55  0.79  1.0
  Rh  Rh1  1  0.35  0.22  0.79  1.0
  Rh  Rh2  1  0.65  0.22  0.79  1.0
  Rh  Rh3  1  0.0  0.45  0.13  1.0
  Rh  Rh4  1  0.35  0.78  0.13  1.0
  Rh  Rh5  1  0.65  0.78  0.13  1.0
  Rh  Rh6  1  0.0  0.0  0.0  1.0

data_Zr6Rh7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   9.8
_cell_angle_alpha   74.17
_cell_angle_beta   74.17
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Rh7
_chemical_formula_sum   'Zr6 Rh7'
_cell_volume   230.57
_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
  Zr  Zr0  1  0.0  0.36  0.64  1.0
  Zr  Zr1  1  0.0  0.46  0.54  1.0
  Zr  Zr2  1  0.0  0.49  0.51  1.0
  Zr  Zr3  1  0.0  0.6  0.4  1.0
  Zr  Zr4  1  0.0  0.62  0.38  1.0
  Zr  Zr5  1  0.0  0.73  0.27  1.0
  Rh  Rh6  1  0.0  0.0  0.0  1.0
  Rh  Rh7  1  0.22  0.87  0.25  1.0
  Rh  Rh8  1  0.22  0.87  0.56  1.0
  Rh  Rh9  1  0.45  0.21  0.34  1.0
  Rh  Rh10  1  0.55  0.87  0.58  1.0
  Rh  Rh11  1  0.78  0.21  0.35  1.0
  Rh  Rh12  1  0.78  0.21  0.66  1.0

Zr Zr Zr Zr Zr Zr Rh Rh Rh Rh Rh Rh Rh
Zr Zr Zr Zr Zr Zr Rh Rh Rh Rh Rh Rh Rh 0 2 o o o 1 3 o o o 2 4 o o o 3 5 o o o 4 8 - o o 5 10 o - o 5 12 o o o 6 7 o o o 9 11 - o o 10 12 o + o 