data_[Sm96Er40Pa24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.4577]
_cell_length_b [18.4577]
_cell_length_c [18.4577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Sm12Er5Pa3]
_chemical_formula_sum '[Sm96 Er40 Pa24]'
_cell_volume [6288.2485]
_cell_formula_units_Z [8]
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
[
  Sm  Sm0  96  0.0125  0.4141  0.1470  1
  Er  Er1  24  0.0000  0.2500  0.3750  1
  Er  Er2  16  0.0000  0.0000  0.0000  1
  Pa  Pa3  24  0.0000  0.2500  0.1250  1
]