data_[K4Ho4Zr2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8028]
_cell_length_b [11.6957]
_cell_length_c [7.8808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ho2ZrS6]
_chemical_formula_sum '[K4 Ho4 Zr2 S12]'
_cell_volume [599.8440]
_cell_formula_units_Z [2]
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  4  0.0000  0.1692  0.0000  1.0
  Ho  Ho1  4  0.0000  0.3335  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2253  0.1599  0.6944  1.0
  S  S4  4  0.2484  0.5000  0.6935  1.0
]