data_[Mg16Pd2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3176]
_cell_length_b [4.4685]
_cell_length_c [6.8875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8PdRh2]
_chemical_formula_sum '[Mg16 Pd2 Rh4]'
_cell_volume [398.5092]
_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  4  0.0350  0.0000  0.7323  1.0
  Mg  Mg1  4  0.1188  0.5000  0.4467  1.0
  Mg  Mg2  4  0.1581  0.0000  0.2178  1.0
  Mg  Mg3  4  0.1739  0.5000  0.9161  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh5  4  0.2080  0.0000  0.6547  1.0
]