data_[Mg5Sc4Pd2]
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 [P2/m]
_cell_length_a [7.7008]
_cell_length_b [3.3164]
_cell_length_c [9.5931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg5(Sc2Pd)2]
_chemical_formula_sum '[Mg5 Sc4 Pd2]'
_cell_volume [244.6763]
_cell_formula_units_Z [1]
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  0.1821  0.0000  0.1512  1
  Mg  Mg1  2  0.4529  0.0000  0.6705  1
  Mg  Mg2  1  0.5000  0.0000  0.0000  1
  Sc  Sc3  2  0.1676  0.5000  0.8567  1
  Sc  Sc4  2  0.2086  0.5000  0.4442  1
  Pd  Pd5  2  0.0722  0.0000  0.6436  1
]