data_[K3Y12Er3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2324]
_cell_length_b [8.2324]
_cell_length_c [20.0451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KY4ErS8]
_chemical_formula_sum '[K3 Y12 Er3 S24]'
_cell_volume [1176.4928]
_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  0.3763  1.0
  Y  Y1  9  0.1729  0.3458  0.8318  1.0
  Y  Y2  3  0.0000  0.0000  0.6247  1.0
  Er  Er3  3  0.0000  0.0000  0.0045  1.0
  S  S4  9  0.0456  0.5228  0.7545  1.0
  S  S5  9  0.1773  0.3546  0.5813  1.0
  S  S6  3  0.0000  0.0000  0.2340  1.0
  S  S7  3  0.0000  0.0000  0.7576  1.0
]