data_[Ac4Er2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0042]
_cell_length_b [4.0031]
_cell_length_c [8.2270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2ErS4]
_chemical_formula_sum '[Ac4 Er2 S8]'
_cell_volume [371.4507]
_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  4  0.1520  0.5000  0.6992  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.0574  0.0000  0.3639  1
  S  S3  4  0.1602  0.5000  0.0743  1
]