data_[Mg10As4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8560]
_cell_length_b [7.4056]
_cell_length_c [6.5922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg5(AsPd6)2]
_chemical_formula_sum '[Mg10 As4 Pd24]'
_cell_volume [622.5833]
_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  4  0.1757  0.5000  0.9373  1.0
  Mg  Mg1  4  0.2452  0.0000  0.5570  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  As  As3  4  0.0000  0.2216  0.0000  1.0
  Pd  Pd4  8  0.1067  0.3007  0.5912  1.0
  Pd  Pd5  8  0.1789  0.2044  0.2176  1.0
  Pd  Pd6  4  0.0393  0.5000  0.2250  1.0
  Pd  Pd7  4  0.1257  0.0000  0.8587  1.0
]