data_[K9Ho9Zr3Se24]
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
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2224]
_cell_length_b [8.2224]
_cell_length_c [23.5482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Ho3ZrSe8]
_chemical_formula_sum '[K9 Ho9 Zr3 Se24]'
_cell_volume [1378.7399]
_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  9  0.0000  0.5000  0.5000  1.0
  Ho  Ho1  9  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  3  0.0000  0.0000  0.0000  1.0
  Se  Se3  18  0.0131  0.5065  0.7324  1.0
  Se  Se4  6  0.0000  0.0000  0.2653  1.0
]