data_[Na4Ho4Fe4Se12]
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
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6969]
_cell_length_b [4.0462]
_cell_length_c [8.2176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaHoFeSe3]
_chemical_formula_sum '[Na4 Ho4 Fe4 Se12]'
_cell_volume [570.6525]
_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
[
  Na  Na0  4  0.1345  0.0000  0.5714  1
  Ho  Ho1  4  0.1710  0.0000  0.0888  1
  Fe  Fe2  4  0.0200  0.5000  0.2193  1
  Se  Se3  4  0.1650  0.5000  0.8469  1
  Se  Se4  4  0.1655  0.5000  0.3220  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]