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 [P2_1/c]
_cell_length_a [7.0352]
_cell_length_b [5.8484]
_cell_length_c [10.8597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrPPd3]
_chemical_formula_sum '[Sr4 P4 Pd12]'
_cell_volume [386.3489]
_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  0.2394  0.7376  0.0722  1
  P  P1  4  0.2465  0.2263  0.9343  1
  Pd  Pd2  4  0.0440  0.5170  0.7638  1
  Pd  Pd3  4  0.2577  0.2466  0.6631  1
  Pd  Pd4  4  0.3969  0.6219  0.3756  1
]