data_[Mg9In6Pb9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [8.4644]
_cell_length_b [8.4644]
_cell_length_c [10.3919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Mg3In2Pb3]
_chemical_formula_sum '[Mg9 In6 Pb9]'
_cell_volume [644.7893]
_cell_formula_units_Z [3]
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  9  0.0000  0.7413  0.0000  1
  In  In1  6  0.0000  0.0000  0.7675  1
  Pb  Pb2  9  0.0000  0.2518  0.5000  1
]