data_[K3Dy3Er12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1481]
_cell_length_b [8.1481]
_cell_length_c [20.0634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KDy(ErS2)4]
_chemical_formula_sum '[K3 Dy3 Er12 S24]'
_cell_volume [1153.5837]
_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
[
  K  K0  3  0.0000  0.0000  0.6260  1.0
  Dy  Dy1  3  0.0000  0.0000  0.9953  1.0
  Er  Er2  9  0.0122  0.5061  0.5015  1.0
  Er  Er3  3  0.0000  0.0000  0.3748  1.0
  S  S4  9  0.0187  0.5093  0.7529  1.0
  S  S5  9  0.1883  0.3766  0.5770  1.0
  S  S6  3  0.0000  0.0000  0.2426  1.0
  S  S7  3  0.0000  0.0000  0.7671  1.0
]