data_[Sr3P4Pd4]
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 [Pmmm]
_cell_length_a [4.1938]
_cell_length_b [4.2965]
_cell_length_c [12.2742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Sr3(PPd)4]
_chemical_formula_sum '[Sr3 P4 Pd4]'
_cell_volume [221.1626]
_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  2  0.0000  0.0000  0.2971  1
  Sr  Sr1  1  0.5000  0.0000  0.0000  1
  P  P2  2  0.0000  0.5000  0.0935  1
  P  P3  2  0.5000  0.5000  0.3872  1
  Pd  Pd4  2  0.5000  0.5000  0.1899  1
  Pd  Pd5  1  0.0000  0.5000  0.5000  1
  Pd  Pd6  1  0.5000  0.0000  0.5000  1
]