data_[Pu4In2S8Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5811]
_cell_length_b [3.9113]
_cell_length_c [9.2611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2InS4Br]
_chemical_formula_sum '[Pu4 In2 S8 Br2]'
_cell_volume [402.0732]
_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  4  0.1870  0.0000  0.2615  1
  In  In1  2  0.0000  0.0000  0.5000  1
  S  S2  4  0.1206  0.5000  0.4231  1
  S  S3  4  0.1776  0.0000  0.7813  1
  Br  Br4  2  0.0000  0.5000  0.0000  1
]