data_[Sm1Pu2Zr1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0426]
_cell_length_b [4.0598]
_cell_length_c [7.0882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmPu2ZrSe4]
_chemical_formula_sum '[Sm1 Pu2 Zr1 Se4]'
_cell_volume [191.3669]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  1  0.0000  0.5000  0.5000  1
  Pu  Pu2  1  0.5000  0.0000  0.5000  1
  Zr  Zr3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.2577  0.5000  0.2477  1
  Se  Se5  2  0.2616  0.0000  0.7585  1
]