data_[Ba4Ge4P4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7171]
_cell_length_b [12.6527]
_cell_length_c [6.3228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaGePPd3]
_chemical_formula_sum '[Ba4 Ge4 P4 Pd12]'
_cell_volume [537.3713]
_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
[
  Ba  Ba0  4  0.0000  0.2450  0.7500  1
  Ge  Ge1  4  0.0000  0.0479  0.2500  1
  P  P2  4  0.0000  0.4201  0.2500  1
  Pd  Pd3  8  0.2120  0.5000  0.0000  1
  Pd  Pd4  4  0.0000  0.2399  0.2500  1
]