data_[Pu2Mg10In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8391]
_cell_length_b [14.4421]
_cell_length_c [8.2402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [PuMg5In6]
_chemical_formula_sum '[Pu2 Mg10 In12]'
_cell_volume [575.8756]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0000  0.3292  0.5000  1
  Mg  Mg2  4  0.0000  0.3322  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  In  In4  8  0.0000  0.1689  0.2574  1
  In  In5  4  0.0000  0.5000  0.2605  1
]