data_[Ac8Er4Sc4Te20]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4494]
_cell_length_b [18.7147]
_cell_length_c [14.3058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2ErScTe5]
_chemical_formula_sum '[Ac8 Er4 Sc4 Te20]'
_cell_volume [1191.2311]
_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  0.1047  0.6868  1
  Ac  Ac1  4  0.0000  0.1432  0.3108  1
  Er  Er2  4  0.0000  0.2056  0.0123  1
  Sc  Sc3  4  0.0000  0.4709  0.4528  1
  Te  Te4  4  0.0000  0.0537  0.0701  1
  Te  Te5  4  0.0000  0.2797  0.6610  1
  Te  Te6  4  0.0000  0.3229  0.3637  1
  Te  Te7  4  0.0000  0.3705  0.9998  1
  Te  Te8  4  0.0000  0.4853  0.7667  1
]