data_[Mg1In4Pb15]
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 [4.8900]
_cell_length_b [4.8900]
_cell_length_c [25.3538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [MgIn4Pb15]
_chemical_formula_sum '[Mg1 In4 Pb15]'
_cell_volume [606.2720]
_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  1  0.0000  0.0000  0.0000  1
  In  In1  2  0.0000  0.0000  0.1975  1
  In  In2  2  0.0000  0.0000  0.3989  1
  Pb  Pb3  4  0.0000  0.5000  0.0965  1
  Pb  Pb4  4  0.0000  0.5000  0.2979  1
  Pb  Pb5  2  0.0000  0.5000  0.5000  1
  Pb  Pb6  2  0.5000  0.5000  0.1973  1
  Pb  Pb7  2  0.5000  0.5000  0.3990  1
  Pb  Pb8  1  0.5000  0.5000  0.0000  1
]