data_[Pm4Pu4U4]
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
  U  1.3800  1.7500  0.9913
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7270]
_cell_length_b [16.4905]
_cell_length_c [5.1056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PmPuU]
_chemical_formula_sum '[Pm4 Pu4 U4]'
_cell_volume [313.7979]
_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  0.0700  0.7500  1
  Pu  Pu1  4  0.0000  0.3582  0.7500  1
  U  U2  4  0.0000  0.2444  0.2500  1
]