data_[Mg4Ti10Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9673]
_cell_length_b [5.4164]
_cell_length_c [8.6559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Ti5Pd12]
_chemical_formula_sum '[Mg4 Ti10 Pd24]'
_cell_volume [664.6614]
_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  0.0000  0.2497  0.0000  1
  Ti  Ti1  4  0.1470  0.5000  0.8455  1
  Ti  Ti2  4  0.1749  0.5000  0.3383  1
  Ti  Ti3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  8  0.1637  0.2490  0.5952  1
  Pd  Pd5  8  0.1925  0.2446  0.1011  1
  Pd  Pd6  4  0.0091  0.5000  0.3492  1
  Pd  Pd7  4  0.0974  0.0000  0.2889  1
]