data_[Mg2Tl4Pd12]
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 [8.8533]
_cell_length_b [4.2231]
_cell_length_c [8.5392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(TlPd3)2]
_chemical_formula_sum '[Mg2 Tl4 Pd12]'
_cell_volume [309.7756]
_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  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.1844  0.5000  0.7363  1.0
  Pd  Pd2  4  0.0102  0.0000  0.8324  1.0
  Pd  Pd3  4  0.1549  0.5000  0.3962  1.0
  Pd  Pd4  4  0.1582  0.5000  0.0564  1.0
]