data_[Pm4Np4B16]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.1548]
_cell_length_b [11.9792]
_cell_length_c [4.0424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [PmNpB4]
_chemical_formula_sum '[Pm4 Np4 B16]'
_cell_volume [298.0421]
_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
[
  Pm  Pm0  4  0.1185  0.1566  0.0000  1
  Np  Np1  4  0.1187  0.4245  0.0000  1
  B  B2  4  0.0211  0.6936  0.5000  1
  B  B3  4  0.1246  0.5522  0.5000  1
  B  B4  4  0.1307  0.9688  0.5000  1
  B  B5  4  0.2070  0.8131  0.5000  1
]