data_[Ac8Er4Cd4Se20]
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
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2387]
_cell_length_b [18.2221]
_cell_length_c [12.9707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2ErCdSe5]
_chemical_formula_sum '[Ac8 Er4 Cd4 Se20]'
_cell_volume [1001.8330]
_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  0.1169  0.6867  1
  Ac  Ac1  4  0.0000  0.1349  0.3098  1
  Er  Er2  4  0.0000  0.2014  0.0124  1
  Cd  Cd3  4  0.0000  0.4567  0.4538  1
  Se  Se4  4  0.0000  0.0494  0.0700  1
  Se  Se5  4  0.0000  0.2885  0.6624  1
  Se  Se6  4  0.0000  0.3104  0.3596  1
  Se  Se7  4  0.0000  0.3565  0.0017  1
  Se  Se8  4  0.0000  0.4936  0.7675  1
]