data_[Si4P2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6409]
_cell_length_b [6.3258]
_cell_length_c [8.9184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Si2PPd6]
_chemical_formula_sum '[Si4 P2 Pd12]'
_cell_volume [271.5747]
_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
[
  Si  Si0  4  0.3074  0.1200  0.7531  1
  P  P1  2  0.5000  0.0000  0.5000  1
  Pd  Pd2  4  0.0807  0.0383  0.2407  1
  Pd  Pd3  4  0.2051  0.6951  0.0683  1
  Pd  Pd4  4  0.3781  0.1542  0.0607  1
]