data_[Mg12Sb2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5401]
_cell_length_b [6.6440]
_cell_length_c [13.7144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg6SbPd5]
_chemical_formula_sum '[Mg12 Sb2 Pd10]'
_cell_volume [413.6883]
_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  8  0.0000  0.2634  0.8255  1
  Mg  Mg1  4  0.0000  0.2236  0.5000  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.0000  0.3319  1
  Pd  Pd4  4  0.0000  0.5000  0.3384  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]