data_[Er12Tm4Pu2Sc6]
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 [5.9615]
_cell_length_b [10.3217]
_cell_length_c [11.2813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Tm2PuSc3]
_chemical_formula_sum '[Er12 Tm4 Pu2 Sc6]'
_cell_volume [683.2758]
_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  0.2492  0.3348  0.7444  1
  Er  Er1  4  0.2449  0.0000  0.7442  1
  Tm  Tm2  4  0.0000  0.3335  0.0000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Sc  Sc4  4  0.0000  0.1675  0.5000  1
  Sc  Sc5  2  0.0000  0.5000  0.5000  1
]