data_[Sr4Si4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3487]
_cell_length_b [6.2781]
_cell_length_c [7.8480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrSiPd]
_chemical_formula_sum '[Sr4 Si4 Pd4]'
_cell_volume [277.5510]
_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  0.1939  0.1377  0.8804  1.0
  Si  Si1  4  0.2685  0.6378  0.0635  1.0
  Pd  Pd2  4  0.3908  0.6042  0.8143  1.0
]