data_MoRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   6.45
_cell_angle_alpha   103.79
_cell_angle_beta   103.79
_cell_angle_gamma   30.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRh5
_chemical_formula_sum   'Mo1 Rh5'
_cell_volume   86.33
_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
  Mo  Mo0  1  0.41  0.0  0.25  1.0
  Rh  Rh1  1  0.49  0.0  0.72  1.0
  Rh  Rh2  1  0.15  0.0  0.06  1.0
  Rh  Rh3  1  0.57  0.0  0.83  1.0
  Rh  Rh4  1  0.31  0.0  0.21  1.0
  Rh  Rh5  1  0.74  0.0  0.91  1.0

data_MoRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.21
_cell_length_c   6.45
_cell_angle_alpha   103.79
_cell_angle_beta   90.0
_cell_angle_gamma   105.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRh5
_chemical_formula_sum   'Mo1 Rh5'
_cell_volume   86.33
_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
  Mo  Mo0  1  0.0  0.59  0.75  1.0
  Rh  Rh1  1  0.0  0.26  0.09  1.0
  Rh  Rh2  1  0.0  0.43  0.17  1.0
  Rh  Rh3  1  0.0  0.51  0.28  1.0
  Rh  Rh4  1  0.0  0.69  0.79  1.0
  Rh  Rh5  1  0.0  0.85  0.94  1.0

Mo Rh Rh Rh Rh Rh