data_[Mg7Pd2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7070]
_cell_length_b [4.7070]
_cell_length_c [11.5106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Mg7Pd2Pb]
_chemical_formula_sum '[Mg7 Pd2 Pb1]'
_cell_volume [220.8632]
_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  1  0.0000  0.0000  0.2794  1
  Mg  Mg1  1  0.0000  0.0000  0.5779  1
  Mg  Mg2  1  0.3333  0.6667  0.1704  1
  Mg  Mg3  1  0.3333  0.6667  0.4185  1
  Mg  Mg4  1  0.3333  0.6667  0.8666  1
  Mg  Mg5  1  0.6667  0.3333  0.0659  1
  Mg  Mg6  1  0.6667  0.3333  0.6982  1
  Pd  Pd7  1  0.3333  0.6667  0.6429  1
  Pd  Pd8  1  0.6667  0.3333  0.2961  1
  Pb  Pb9  1  0.0000  0.0000  0.9676  1
]