data_[Mg5Bi1Pd4]
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 [P4/mmm]
_cell_length_a [3.1942]
_cell_length_b [3.1942]
_cell_length_c [18.0597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg5BiPd4]
_chemical_formula_sum '[Mg5 Bi1 Pd4]'
_cell_volume [184.2645]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.1452  1.0
  Mg  Mg1  2  0.5000  0.5000  0.3225  1.0
  Mg  Mg2  1  0.5000  0.5000  0.5000  1.0
  Bi  Bi3  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.2319  1.0
  Pd  Pd5  2  0.0000  0.0000  0.4116  1.0
]