data_[Mg10Si4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3460]
_cell_length_b [8.3986]
_cell_length_c [5.8294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg5(SiPd6)2]
_chemical_formula_sum '[Mg10 Si4 Pd24]'
_cell_volume [603.8266]
_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  0.1828  0.5000  0.9310  1.0
  Mg  Mg1  4  0.2467  0.0000  0.5492  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Si  Si3  4  0.0000  0.2517  0.0000  1.0
  Pd  Pd4  8  0.1020  0.2717  0.6305  1.0
  Pd  Pd5  8  0.1800  0.2350  0.2003  1.0
  Pd  Pd6  4  0.0403  0.5000  0.2532  1.0
  Pd  Pd7  4  0.1024  0.0000  0.9094  1.0
]