data_[Y1Er2Pu1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7582]
_cell_length_b [3.8858]
_cell_length_c [6.7640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YEr2PuS4]
_chemical_formula_sum '[Y1 Er2 Pu1 S4]'
_cell_volume [167.7544]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1
  Er  Er1  1  0.0000  0.5000  0.5000  1
  Er  Er2  1  0.5000  0.0000  0.5000  1
  Pu  Pu3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2465  0.0000  0.7434  1
  S  S5  2  0.2506  0.5000  0.2558  1
]