data_[Pm4Pu8Cu4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4755]
_cell_length_b [11.2727]
_cell_length_c [11.4461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PmPu2CuN4]
_chemical_formula_sum '[Pm4 Pu8 Cu4 N16]'
_cell_volume [448.4413]
_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  0.0000  0.1024  0.7500  1
  Pu  Pu1  8  0.0000  0.3702  0.5561  1
  Cu  Cu2  4  0.0000  0.1639  0.2500  1
  N  N3  8  0.0000  0.2660  0.1099  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4464  0.7500  1
]