data_[K3Ho3Er12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1442]
_cell_length_b [8.1442]
_cell_length_c [20.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KHo(ErS2)4]
_chemical_formula_sum '[K3 Ho3 Er12 S24]'
_cell_volume [1149.0275]
_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  0.6256  1.0
  Ho  Ho1  3  0.0000  0.0000  0.9952  1.0
  Er  Er2  9  0.0126  0.5063  0.5016  1.0
  Er  Er3  3  0.0000  0.0000  0.3749  1.0
  S  S4  9  0.0191  0.5095  0.7527  1.0
  S  S5  9  0.1890  0.8110  0.5772  1.0
  S  S6  3  0.0000  0.0000  0.2427  1.0
  S  S7  3  0.0000  0.0000  0.7672  1.0
]