data_[Be4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8683]
_cell_length_b [3.7799]
_cell_length_c [8.1207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BePb2]
_chemical_formula_sum '[Be4 Pb8]'
_cell_volume [319.8677]
_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
[
  Be  Be0  4  0.2213  0.5000  0.5240  1
  Pb  Pb1  4  0.0268  0.0000  0.3110  1
  Pb  Pb2  4  0.2044  0.5000  0.1754  1
]