data_[Ac3Er3Bi6S18]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1892]
_cell_length_b [7.1892]
_cell_length_c [18.9757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AcEr(BiS3)2]
_chemical_formula_sum '[Ac3 Er3 Bi6 S18]'
_cell_volume [849.3520]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1915  1
  Er  Er1  3  0.0000  0.0000  0.6821  1
  Bi  Bi2  3  0.0000  0.0000  0.4798  1
  Bi  Bi3  3  0.0000  0.0000  0.9858  1
  S  S4  9  0.0225  0.7271  0.5848  1
  S  S5  9  0.0317  0.3524  0.7483  1
]