data_[Mg2H6Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7237]
_cell_length_b [4.7545]
_cell_length_c [5.0269]
_cell_angle_alpha [107.0756]
_cell_angle_beta [93.9440]
_cell_angle_gamma [119.5269]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgH3Rh]
_chemical_formula_sum '[Mg2 H6 Rh2]'
_cell_volume [90.7577]
_cell_formula_units_Z [2]
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  0.6536  0.8161  0.4093  1.0
  Mg  Mg1  1  0.8669  0.3037  0.0298  1.0
  H  H2  1  0.1273  0.7851  0.3793  1.0
  H  H3  1  0.1802  0.3067  0.5008  1.0
  H  H4  1  0.3580  0.8089  0.9143  1.0
  H  H5  1  0.4117  0.3661  0.0502  1.0
  H  H6  1  0.5802  0.2581  0.5537  1.0
  H  H7  1  0.9194  0.8189  0.8935  1.0
  Rh  Rh8  1  0.2770  0.0833  0.2110  1.0
  Rh  Rh9  1  0.9985  0.5478  0.6161  1.0
]