data_[Mg4Tl1Pd3]
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 [Pmmm]
_cell_length_a [3.5874]
_cell_length_b [4.4597]
_cell_length_c [8.8842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Mg4TlPd3]
_chemical_formula_sum '[Mg4 Tl1 Pd3]'
_cell_volume [142.1379]
_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  0.0000  0.5000  0.2712  1
  Mg  Mg1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  1  0.0000  0.0000  0.5000  1
  Tl  Tl3  1  0.5000  0.5000  0.0000  1
  Pd  Pd4  2  0.5000  0.0000  0.2550  1
  Pd  Pd5  1  0.5000  0.5000  0.5000  1
]