data_[Mg6Sc2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9742]
_cell_length_b [8.4559]
_cell_length_c [6.8432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Mg3ScPd2]
_chemical_formula_sum '[Mg6 Sc2 Pd4]'
_cell_volume [229.9697]
_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  0.0806  0.4637  1
  Mg  Mg1  2  0.0000  0.3047  0.8592  1
  Mg  Mg2  2  0.5000  0.1859  0.1454  1
  Sc  Sc3  2  0.5000  0.4176  0.5334  1
  Pd  Pd4  2  0.0000  0.3924  0.2477  1
  Pd  Pd5  2  0.5000  0.1167  0.7505  1
]