data_[Sr4Pu4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4518]
_cell_length_b [3.5367]
_cell_length_c [5.3411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrPuIn]
_chemical_formula_sum '[Sr4 Pu4 In4]'
_cell_volume [345.3328]
_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
[
  Sr  Sr0  4  0.0649  0.5000  0.2783  1
  Pu  Pu1  4  0.2413  0.0000  0.3610  1
  In  In2  4  0.1274  0.0000  0.8141  1
]