data_[Tl2Ga4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1103]
_cell_length_b [4.1047]
_cell_length_c [6.4724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(GaPd4)2]
_chemical_formula_sum '[Tl2 Ga4 Pd16]'
_cell_volume [352.1554]
_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
[
  Tl  Tl0  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga1  4  0.2115  0.0000  0.6676  1.0
  Pd  Pd2  4  0.0390  0.0000  0.7288  1.0
  Pd  Pd3  4  0.1021  0.5000  0.4774  1.0
  Pd  Pd4  4  0.1635  0.0000  0.2428  1.0
  Pd  Pd5  4  0.1795  0.5000  0.9319  1.0
]