data_[Ni30Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [3.5309]
_cell_length_b [3.5309]
_cell_length_c [40.8928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ni15Pb]
_chemical_formula_sum '[Ni30 Pb2]'
_cell_volume [509.8240]
_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
[
  Ni  Ni0  2  0.2500  0.0000  0.2253  1
  Ni  Ni1  2  0.2500  0.0000  0.3104  1
  Ni  Ni2  2  0.2500  0.0000  0.3945  1
  Ni  Ni3  2  0.2500  0.0000  0.4788  1
  Ni  Ni4  2  0.2500  0.0000  0.5631  1
  Ni  Ni5  2  0.2500  0.0000  0.6473  1
  Ni  Ni6  2  0.2500  0.0000  0.7325  1
  Ni  Ni7  2  0.2500  0.5000  0.1838  1
  Ni  Ni8  2  0.2500  0.5000  0.2674  1
  Ni  Ni9  2  0.2500  0.5000  0.3528  1
  Ni  Ni10  2  0.2500  0.5000  0.4369  1
  Ni  Ni11  2  0.2500  0.5000  0.5212  1
  Ni  Ni12  2  0.2500  0.5000  0.6055  1
  Ni  Ni13  2  0.2500  0.5000  0.6896  1
  Ni  Ni14  2  0.2500  0.5000  0.7747  1
  Pb  Pb15  2  0.2500  0.0000  0.8380  1
]