data_[Tl4P4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [7.7499]
_cell_length_b [6.4373]
_cell_length_c [5.8489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlPPd2]
_chemical_formula_sum '[Tl4 P4 Pd8]'
_cell_volume [291.7467]
_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
[
  Tl  Tl0  4  0.1079  0.6137  0.7849  1.0
  P  P1  4  0.3847  0.0588  0.6995  1.0
  Pd  Pd2  4  0.2013  0.2069  0.9861  1.0
  Pd  Pd3  4  0.4155  0.7031  0.5034  1.0
]