data_[Ac4Sm8Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6658]
_cell_length_b [16.4621]
_cell_length_c [11.9111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac(SmEr)2]
_chemical_formula_sum '[Ac4 Sm8 Er8]'
_cell_volume [718.7942]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  4  0.0000  0.3933  0.5041  1
  Sm  Sm1  4  0.0000  0.0516  0.7014  1
  Sm  Sm2  4  0.0000  0.2616  0.7962  1
  Er  Er3  4  0.0000  0.0780  0.4132  1
  Er  Er4  4  0.0000  0.2969  0.0704  1
]