data_[Pm96Er24Si40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.9536]
_cell_length_b [17.9536]
_cell_length_c [17.9536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Pm12Er3Si5]
_chemical_formula_sum '[Pm96 Er24 Si40]'
_cell_volume [5787.0124]
_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
[
  Pm  Pm0  96  0.0334  0.5663  0.3568  1
  Er  Er1  24  0.0000  0.2500  0.1250  1
  Si  Si2  24  0.0000  0.2500  0.3750  1
  Si  Si3  16  0.0000  0.0000  0.0000  1
]