data_Zr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   15.17
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Rh
_chemical_formula_sum   'Zr18 Rh6'
_cell_volume   499.02
_cell_formula_units_Z   6
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  Zr6  1  0.4  0.76  0.16  1.0
  Zr  Zr7  1  0.4  0.4  0.16  1.0
  Zr  Zr8  1  0.36  0.58  0.35  1.0
  Zr  Zr9  1  0.42  0.0  0.27  1.0
  Zr  Zr10  1  0.37  0.34  0.46  1.0
  Zr  Zr11  1  0.37  0.82  0.46  1.0
  Zr  Zr12  1  0.0  0.0  0.05  1.0
  Zr  Zr13  1  0.0  0.64  0.62  1.0
  Zr  Zr14  1  0.0  0.53  0.62  1.0
  Zr  Zr15  1  0.45  0.76  0.16  1.0
  Zr  Zr16  1  0.45  0.4  0.16  1.0
  Zr  Zr17  1  0.49  0.58  0.35  1.0
  Zr  Zr18  1  0.44  0.0  0.27  1.0
  Zr  Zr19  1  0.48  0.34  0.46  1.0
  Zr  Zr20  1  0.48  0.82  0.46  1.0
  Zr  Zr21  1  0.93  0.58  0.57  1.0
  Zr  Zr22  1  0.93  0.05  0.01  1.0
  Zr  Zr23  1  0.93  0.11  0.01  1.0
  Rh  Rh0  1  0.0  0.58  0.6  1.0
  Rh  Rh1  1  0.0  0.41  0.72  1.0
  Rh  Rh2  1  0.0  0.75  0.72  1.0
  Rh  Rh3  1  0.93  0.0  0.03  1.0
  Rh  Rh4  1  0.93  0.99  0.91  1.0
  Rh  Rh5  1  0.93  0.17  0.91  1.0

data_Zr3Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.62
_cell_length_b   5.85
_cell_length_c   15.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Rh
_chemical_formula_sum   'Zr18 Rh6'
_cell_volume   499.02
_cell_formula_units_Z   6
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  0.01  0.93  0.05  1.0
  Zr  Zr1  1  0.01  0.93  0.11  1.0
  Zr  Zr2  1  0.05  0.0  0.0  1.0
  Zr  Zr3  1  0.16  0.4  0.4  1.0
  Zr  Zr4  1  0.16  0.4  0.76  1.0
  Zr  Zr5  1  0.16  0.45  0.4  1.0
  Zr  Zr6  1  0.16  0.45  0.76  1.0
  Zr  Zr7  1  0.27  0.42  0.0  1.0
  Zr  Zr8  1  0.27  0.44  0.0  1.0
  Zr  Zr9  1  0.35  0.36  0.58  1.0
  Zr  Zr10  1  0.35  0.49  0.58  1.0
  Zr  Zr11  1  0.46  0.37  0.34  1.0
  Zr  Zr12  1  0.46  0.37  0.82  1.0
  Zr  Zr13  1  0.46  0.48  0.34  1.0
  Zr  Zr14  1  0.46  0.48  0.82  1.0
  Zr  Zr15  1  0.57  0.93  0.58  1.0
  Zr  Zr16  1  0.62  0.0  0.53  1.0
  Zr  Zr17  1  0.62  0.0  0.64  1.0
  Rh  Rh18  1  0.03  0.93  0.0  1.0
  Rh  Rh19  1  0.6  0.0  0.58  1.0
  Rh  Rh20  1  0.72  0.0  0.41  1.0
  Rh  Rh21  1  0.72  0.0  0.75  1.0
  Rh  Rh22  1  0.91  0.93  0.17  1.0
  Rh  Rh23  1  0.91  0.93  0.99  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Rh Rh Rh Rh Rh Rh