data_[Ac4Dy8Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1025]
_cell_length_b [9.8985]
_cell_length_c [8.9987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AcDy2Er3]
_chemical_formula_sum '[Ac4 Dy8 Er12]'
_cell_volume [792.6822]
_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  0.0771  0.2500  1
  Dy  Dy1  8  0.1243  0.2555  0.6263  1
  Er  Er2  8  0.2351  0.4112  0.9944  1
  Er  Er3  4  0.0000  0.4193  0.2500  1
]