data_[Pm3Np3Ni51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Np  1.3600  1.7500  1.0000
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2969]
_cell_length_b [8.2969]
_cell_length_c [12.0738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PmNpNi17]
_chemical_formula_sum '[Pm3 Np3 Ni51]'
_cell_volume [719.7960]
_cell_formula_units_Z [3]
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
[
  Pm  Pm0  3  0.0000  0.0000  0.6604  1
  Np  Np1  3  0.0000  0.0000  0.3368  1
  Ni  Ni2  18  0.0019  0.2957  0.0001  1
  Ni  Ni3  9  0.0000  0.5000  0.5000  1
  Ni  Ni4  9  0.0024  0.5012  0.8462  1
  Ni  Ni5  9  0.0034  0.5017  0.1530  1
  Ni  Ni6  3  0.0000  0.0000  0.1015  1
  Ni  Ni7  3  0.0000  0.0000  0.9033  1
]