data_[Sr1Ag3Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3531]
_cell_length_b [5.3531]
_cell_length_c [8.8123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrAg3Pd8]
_chemical_formula_sum '[Sr1 Ag3 Pd8]'
_cell_volume [218.6924]
_cell_formula_units_Z [1]
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
[
  Sr  Sr0  1  0.0000  0.0000  0.4337  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0452  1.0
  Ag  Ag2  1  0.6667  0.3333  0.5977  1.0
  Ag  Ag3  1  0.6667  0.3333  0.9405  1.0
  Pd  Pd4  3  0.1647  0.8353  0.7544  1.0
  Pd  Pd5  3  0.5024  0.0048  0.2405  1.0
  Pd  Pd6  1  0.3333  0.6667  0.4997  1.0
  Pd  Pd7  1  0.3333  0.6667  0.9984  1.0
]