data_Er3Pu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Pu
_chemical_formula_sum   'Er6 Pu2'
_cell_volume   241.55
_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
  Er  Er0  1  0.0  0.05  0.21  1.0
  Er  Er1  1  0.75  0.08  0.21  1.0
  Er  Er2  1  0.25  0.08  0.21  1.0
  Er  Er3  1  0.52  0.05  0.4  1.0
  Er  Er4  1  0.78  0.03  0.4  1.0
  Er  Er5  1  0.27  0.03  0.4  1.0
  Pu  Pu6  1  0.0  0.07  0.4  1.0
  Pu  Pu7  1  0.52  0.03  0.21  1.0

data_Er3Pu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.62
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Er3Pu
_chemical_formula_sum   'Er6 Pu2'
_cell_volume   241.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Er  Er0  2  0.1  0.01  0.97  1.0
  Er  Er1  2  0.1  0.26  0.0  1.0
  Er  Er2  2  0.1  0.51  0.97  1.0
  Pu  Pu3  2  0.1  0.74  0.02  1.0

Er Er Er Er Er Er Pu Pu