data_[Pu4Mn4Cu4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.6319]
_cell_length_b [7.3202]
_cell_length_c [8.0101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PuMnCuO4]
_chemical_formula_sum '[Pu4 Mn4 Cu4 O16]'
_cell_volume [388.8621]
_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
[
  Pu  Pu0  4  0.0000  0.0000  0.5000  1
  Mn  Mn1  4  0.0000  0.2500  0.9017  1
  Cu  Cu2  4  0.2500  0.2500  0.2500  1
  O  O3  8  0.0000  0.0280  0.7465  1
  O  O4  8  0.2196  0.2500  0.4841  1
]