data_[La12P2Pd4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [7.4016]
_cell_length_b [12.8564]
_cell_length_c [7.3401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6PPd2Cl3]
_chemical_formula_sum '[La12 P2 Pd4 Cl6]'
_cell_volume [657.6272]
_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
[
  La  La0  8  0.2444  0.8366  0.2364  1.0
  La  La1  4  0.2481  0.0000  0.7625  1.0
  P  P2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0000  0.3331  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1656  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]