data_[La2Y1Pu1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2865]
_cell_length_b [4.1942]
_cell_length_c [7.3391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2YPuSe4]
_chemical_formula_sum '[La2 Y1 Pu1 Se4]'
_cell_volume [211.8517]
_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
[
  La  La0  1  0.0000  0.5000  0.5000  1
  La  La1  1  0.5000  0.0000  0.5000  1
  Y  Y2  1  0.0000  0.0000  0.0000  1
  Pu  Pu3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.2424  0.5000  0.2344  1
  Se  Se5  2  0.2527  0.0000  0.7642  1
]