data_[Sr4B4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5111]
_cell_length_b [14.9696]
_cell_length_c [6.0845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrBPd4]
_chemical_formula_sum '[Sr4 B4 Pd16]'
_cell_volume [410.8857]
_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  0.3979  0.7500  1.0
  B  B1  4  0.0000  0.1037  0.7500  1.0
  Pd  Pd2  8  0.0000  0.1998  0.5120  1.0
  Pd  Pd3  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  4  0.0000  0.3777  0.2500  1.0
]