data_[Mg16Bi4Pd4]
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/c]
_cell_length_a [8.2750]
_cell_length_b [12.5894]
_cell_length_c [5.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg4BiPd]
_chemical_formula_sum '[Mg16 Bi4 Pd4]'
_cell_volume [554.2669]
_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
[
  Mg  Mg0  8  0.1040  0.1706  0.5563  1.0
  Mg  Mg1  8  0.2258  0.4164  0.8663  1.0
  Bi  Bi2  4  0.0000  0.3726  0.2500  1.0
  Pd  Pd3  4  0.0000  0.0012  0.7500  1.0
]