data_[Ca8Tl4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3026]
_cell_length_b [5.7645]
_cell_length_c [8.3180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2TlPd2]
_chemical_formula_sum '[Ca8 Tl4 Pd8]'
_cell_volume [476.0409]
_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
[
  Ca  Ca0  8  0.1495  0.3490  0.6500  1.0
  Tl  Tl1  4  0.0000  0.1724  0.2500  1.0
  Pd  Pd2  8  0.1354  0.1380  0.0016  1.0
]