data_[Ac2Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6522]
_cell_length_b [4.9758]
_cell_length_c [18.1947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [AcEr4]
_chemical_formula_sum '[Ac2 Er8]'
_cell_volume [330.6443]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0000  0.0000  0.2015  1
  Er  Er2  4  0.0000  0.0000  0.3923  1
]