data_[Cs4Hf4Co4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8513]
_cell_length_b [16.5152]
_cell_length_c [10.0739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsHfCoSe3]
_chemical_formula_sum '[Cs4 Hf4 Co4 Se12]'
_cell_volume [640.7458]
_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  0.0000  0.2538  0.2500  1.0
  Hf  Hf1  4  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.0000  0.4733  0.7500  1.0
  Se  Se3  8  0.0000  0.3904  0.5562  1.0
  Se  Se4  4  0.0000  0.0607  0.7500  1.0
]