data_[Er12Tm6Pu2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9761]
_cell_length_b [10.3466]
_cell_length_c [11.3960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Tm3PuSc2]
_chemical_formula_sum '[Er12 Tm6 Pu2 Sc4]'
_cell_volume [693.7703]
_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  8  0.2471  0.1659  0.2443  1
  Er  Er1  4  0.2494  0.5000  0.2443  1
  Tm  Tm2  4  0.0000  0.1676  0.5000  1
  Tm  Tm3  2  0.0000  0.5000  0.5000  1
  Pu  Pu4  2  0.0000  0.0000  0.0000  1
  Sc  Sc5  4  0.0000  0.3334  0.0000  1
]