data_[Sr4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0534]
_cell_length_b [3.9771]
_cell_length_c [8.6225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrPb2]
_chemical_formula_sum '[Sr4 Pb8]'
_cell_volume [421.8178]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.1692  0.0000  0.1563  1
  Pb  Pb1  4  0.0472  0.5000  0.7885  1
  Pb  Pb2  4  0.1249  0.0000  0.5424  1
]