data_[La4Tl2P2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6388]
_cell_length_b [8.8660]
_cell_length_c [8.5484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La2TlPPd6]
_chemical_formula_sum '[La4 Tl2 P2 Pd12]'
_cell_volume [427.3615]
_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  4  0.0000  0.2510  0.7418  1
  Tl  Tl1  2  0.0000  0.5000  0.2984  1
  P  P2  2  0.0000  0.0000  0.2145  1
  Pd  Pd3  4  0.0000  0.2463  0.1020  1
  Pd  Pd4  4  0.2431  0.0000  0.4381  1
  Pd  Pd5  4  0.2493  0.5000  0.0141  1
]