data_[Cs6Ho4Zr2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.9198]
_cell_length_b [11.9850]
_cell_length_c [8.3891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Ho2ZrS6]
_chemical_formula_sum '[Cs6 Ho4 Zr2 S12]'
_cell_volume [668.8857]
_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
[
  Cs  Cs0  4  0.0000  0.1683  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  4  0.0000  0.3335  0.0000  1.0
  Zr  Zr3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2209  0.1607  0.1803  1.0
  S  S5  4  0.2391  0.5000  0.1812  1.0
]