data_[Mg12Tl2Pd4]
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 [C2/m]
_cell_length_a [10.2972]
_cell_length_b [3.4319]
_cell_length_c [10.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg6TlPd2]
_chemical_formula_sum '[Mg12 Tl2 Pd4]'
_cell_volume [378.8439]
_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
[
  Mg  Mg0  4  0.0206  0.0000  0.2964  1
  Mg  Mg1  4  0.1447  0.5000  0.5389  1
  Mg  Mg2  4  0.2091  0.5000  0.8701  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Pd  Pd4  4  0.2268  0.5000  0.3008  1
]