data_[Ga8P4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2083]
_cell_length_b [13.9116]
_cell_length_c [11.1209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ga2PPd5]
_chemical_formula_sum '[Ga8 P4 Pd20]'
_cell_volume [651.0660]
_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
[
  Ga  Ga0  8  0.0000  0.1269  0.5911  1
  P  P1  4  0.0000  0.1694  0.2500  1
  Pd  Pd2  8  0.0000  0.0493  0.1123  1
  Pd  Pd3  8  0.0000  0.2610  0.0784  1
  Pd  Pd4  4  0.0000  0.2569  0.7500  1
]