data_[Be4Sn2Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2376]
_cell_length_b [10.9466]
_cell_length_c [4.1295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Be2SnPd7]
_chemical_formula_sum '[Be4 Sn2 Pd14]'
_cell_volume [327.1722]
_cell_formula_units_Z [2]
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  0.0000  0.2881  0.5000  1
  Sn  Sn1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1899  0.1289  0.5000  1
  Pd  Pd3  4  0.0000  0.3296  0.0000  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
]