data_[Ba12Mg4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6080]
_cell_length_b [4.5536]
_cell_length_c [15.9054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3MgPd3]
_chemical_formula_sum '[Ba12 Mg4 Pd12]'
_cell_volume [847.4175]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0118  0.5000  0.3754  1
  Ba  Ba1  4  0.0993  0.5000  0.9235  1
  Ba  Ba2  4  0.2357  0.5000  0.2294  1
  Mg  Mg3  4  0.2389  0.0000  0.4204  1
  Pd  Pd4  4  0.0578  0.0000  0.2424  1
  Pd  Pd5  4  0.1045  0.0000  0.0778  1
  Pd  Pd6  4  0.1256  0.0000  0.5396  1
]