data_[Mg9In1Pb2]
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 [P4/mmm]
_cell_length_a [4.5569]
_cell_length_b [4.5569]
_cell_length_c [13.6137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg9InPb2]
_chemical_formula_sum '[Mg9 In1 Pb2]'
_cell_volume [282.6900]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.1621  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  Mg  Mg2  2  0.5000  0.5000  0.3313  1
  Mg  Mg3  1  0.5000  0.5000  0.0000  1
  In  In4  1  0.0000  0.0000  0.0000  1
  Pb  Pb5  2  0.0000  0.0000  0.3319  1
]