data_[Mg4Sc2Ga2Pd4]
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
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.6859]
_cell_length_b [8.4864]
_cell_length_c [7.0409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Mg2ScGaPd2]
_chemical_formula_sum '[Mg4 Sc2 Ga2 Pd4]'
_cell_volume [220.2418]
_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  0.1811  0.3690  1.0
  Mg  Mg1  2  0.5000  0.0812  0.0448  1.0
  Sc  Sc2  2  0.0000  0.4208  0.9677  1.0
  Ga  Ga3  2  0.5000  0.3171  0.6458  1.0
  Pd  Pd4  2  0.0000  0.1273  0.7541  1.0
  Pd  Pd5  2  0.5000  0.3920  0.2642  1.0
]