data_[Pu1Mg1Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0789]
_cell_length_b [5.0020]
_cell_length_c [8.6077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [PuMgCu10]
_chemical_formula_sum '[Pu1 Mg1 Cu10]'
_cell_volume [175.6184]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  1  0.0000  0.5000  0.5000  1
  Cu  Cu2  4  0.5000  0.2497  0.2521  1
  Cu  Cu3  2  0.0000  0.0000  0.3429  1
  Cu  Cu4  2  0.0000  0.5000  0.1802  1
  Cu  Cu5  1  0.5000  0.0000  0.5000  1
  Cu  Cu6  1  0.5000  0.5000  0.0000  1
]