data_Mg3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Rh
_chemical_formula_sum   'Mg12 Rh4'
_cell_volume   283.49
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.53  0.55  0.73  1.0
  Mg  Mg1  1  0.53  0.55  0.0  1.0
  Mg  Mg2  1  0.47  0.55  0.73  1.0
  Mg  Mg3  1  0.94  0.0  0.73  1.0
  Mg  Mg4  1  0.94  0.0  0.0  1.0
  Mg  Mg5  1  0.47  0.55  0.0  1.0
  Mg  Mg6  1  0.54  0.28  0.09  1.0
  Mg  Mg7  1  0.41  0.81  0.36  1.0
  Mg  Mg8  1  0.46  0.28  0.09  1.0
  Mg  Mg9  1  0.0  0.62  0.09  1.0
  Mg  Mg10  1  0.94  0.47  0.36  1.0
  Mg  Mg11  1  0.48  0.81  0.36  1.0
  Rh  Rh12  1  0.0  0.0  0.73  1.0
  Rh  Rh13  1  0.0  0.0  0.0  1.0
  Rh  Rh14  1  0.94  0.7  0.09  1.0
  Rh  Rh15  1  0.0  0.4  0.36  1.0

data_Mg3Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Rh
_chemical_formula_sum   'Mg12 Rh4'
_cell_volume   283.49
_cell_formula_units_Z   4
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
  Mg  Mg0  1  -0.0  0.62  0.09  1.0
  Mg  Mg1  1  0.41  0.81  0.36  1.0
  Mg  Mg2  1  0.46  0.28  0.09  1.0
  Mg  Mg3  1  0.47  0.55  0.0  1.0
  Mg  Mg4  1  0.47  0.55  0.73  1.0
  Mg  Mg5  1  0.48  0.81  0.36  1.0
  Mg  Mg6  1  0.53  0.55  0.0  1.0
  Mg  Mg7  1  0.53  0.55  0.73  1.0
  Mg  Mg8  1  0.54  0.28  0.09  1.0
  Mg  Mg9  1  0.94  0.0  0.0  1.0
  Mg  Mg10  1  0.94  0.0  0.73  1.0
  Mg  Mg11  1  0.94  0.47  0.36  1.0
  Rh  Rh12  1  -0.0  0.4  0.36  1.0
  Rh  Rh13  1  0.0  0.0  0.0  1.0
  Rh  Rh14  1  0.0  0.0  0.73  1.0
  Rh  Rh15  1  0.94  0.7  0.09  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Rh Rh Rh Rh