data_[Mg10Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0836]
_cell_length_b [7.4724]
_cell_length_c [7.6431]
_cell_angle_alpha [97.3978]
_cell_angle_beta [91.6144]
_cell_angle_gamma [108.8254]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg5Pd2]
_chemical_formula_sum '[Mg10 Pd4]'
_cell_volume [271.7649]
_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  0.0770  0.8089  0.5619  1.0
  Mg  Mg1  2  0.1389  0.5696  0.1787  1.0
  Mg  Mg2  2  0.2802  0.2013  0.9294  1.0
  Mg  Mg3  2  0.3184  0.0060  0.2443  1.0
  Mg  Mg4  2  0.4211  0.5664  0.6743  1.0
  Pd  Pd5  2  0.2081  0.7998  0.9110  1.0
  Pd  Pd6  2  0.4241  0.1986  0.5849  1.0
]