data_[Mg2Tl1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8234]
_cell_length_b [5.0045]
_cell_length_c [6.5302]
_cell_angle_alpha [74.1880]
_cell_angle_beta [79.0982]
_cell_angle_gamma [83.2636]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg2TlPd6]
_chemical_formula_sum '[Mg2 Tl1 Pd6]'
_cell_volume [148.5658]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  2  0.3339  0.6658  0.3353  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Pd  Pd2  2  0.1151  0.5557  0.7688  1
  Pd  Pd3  2  0.2240  0.1197  0.5530  1
  Pd  Pd4  2  0.4445  0.2212  0.1124  1
]