data_[K3Y3Er12Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5130]
_cell_length_b [8.5130]
_cell_length_c [20.9989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KY(ErSe2)4]
_chemical_formula_sum '[K3 Y3 Er12 Se24]'
_cell_volume [1317.9345]
_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  0.6267  1
  Y  Y1  3  0.0000  0.0000  0.9949  1
  Er  Er2  9  0.0128  0.5064  0.5017  1
  Er  Er3  3  0.0000  0.0000  0.3747  1
  Se  Se4  9  0.0190  0.5095  0.7529  1
  Se  Se5  9  0.1864  0.3728  0.5771  1
  Se  Se6  3  0.0000  0.0000  0.2425  1
  Se  Se7  3  0.0000  0.0000  0.7661  1
]