data_[Sr12P4Pd2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3188]
_cell_length_b [4.4268]
_cell_length_c [8.9602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6P2PdCl3]
_chemical_formula_sum '[Sr12 P4 Pd2 Cl6]'
_cell_volume [743.1367]
_cell_formula_units_Z [2]
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  0.0051  0.0000  0.2371  1.0
  Sr  Sr1  4  0.1593  0.5000  0.1058  1.0
  Sr  Sr2  4  0.1746  0.5000  0.5652  1.0
  P  P3  4  0.1647  0.0000  0.3349  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1713  0.0000  0.8329  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]