data_[Sr4P4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.2064]
_cell_length_b [4.2228]
_cell_length_c [21.4785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [SrPPd3]
_chemical_formula_sum '[Sr4 P4 Pd12]'
_cell_volume [381.5217]
_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
[
  Sr  Sr0  4  0.0000  0.2500  0.3364  1
  P  P1  4  0.0000  0.2500  0.9012  1
  Pd  Pd2  4  0.0000  0.2500  0.0460  1
  Pd  Pd3  4  0.0000  0.2500  0.5465  1
  Pd  Pd4  4  0.0000  0.2500  0.7911  1
]