data_[Mg6Bi2Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7212]
_cell_length_b [9.5243]
_cell_length_c [5.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3BiPd7]
_chemical_formula_sum '[Mg6 Bi2 Pd14]'
_cell_volume [399.1013]
_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  0.0000  0.2243  0.0000  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  8  0.1769  0.2364  0.6882  1
  Pd  Pd4  4  0.1849  0.0000  0.0429  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]