data_[Mg16Rh2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0321]
_cell_length_b [4.9249]
_cell_length_c [6.9446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8RhPb2]
_chemical_formula_sum '[Mg16 Rh2 Pb4]'
_cell_volume [496.6420]
_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  0.0062  0.0000  0.7869  1.0
  Mg  Mg1  4  0.1195  0.5000  0.3933  1.0
  Mg  Mg2  4  0.1363  0.5000  0.8883  1.0
  Mg  Mg3  4  0.1786  0.0000  0.1991  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1805  0.0000  0.6779  1.0
]