data_[Na4Ho2Hf4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7337]
_cell_length_b [11.7445]
_cell_length_c [7.5030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ho(HfSe3)2]
_chemical_formula_sum '[Na4 Ho2 Hf4 Se12]'
_cell_volume [567.0507]
_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
[
  Na  Na0  4  0.0000  0.1623  0.0000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.5000  1.0
  Hf  Hf2  4  0.0000  0.3328  0.5000  1.0
  Se  Se3  8  0.2462  0.1742  0.7216  1.0
  Se  Se4  4  0.2211  0.5000  0.7204  1.0
]