data_[Cs4Ho4Ni4Se12]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7268]
_cell_length_b [4.3037]
_cell_length_c [9.2069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHoNiSe3]
_chemical_formula_sum '[Cs4 Ho4 Ni4 Se12]'
_cell_volume [653.9477]
_cell_formula_units_Z [4]
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  0.1565  0.0000  0.0646  1
  Ho  Ho1  4  0.1643  0.0000  0.5759  1
  Ni  Ni2  4  0.0079  0.5000  0.2963  1
  Se  Se3  4  0.1348  0.5000  0.7619  1
  Se  Se4  4  0.1612  0.5000  0.3629  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]