data_[Mg2Sn2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5239]
_cell_length_b [7.4253]
_cell_length_c [5.5661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgSnPd4]
_chemical_formula_sum '[Mg2 Sn2 Pd8]'
_cell_volume [207.3858]
_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  0.0000  1
  Sn  Sn1  2  0.0000  0.5000  0.5000  1
  Pd  Pd2  8  0.2447  0.3043  0.2460  1
]