data_[Ho8Se4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8580]
_cell_length_b [3.9342]
_cell_length_c [8.3780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2SeF3]
_chemical_formula_sum '[Ho8 Se4 F12]'
_cell_volume [412.8721]
_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
[
  Ho  Ho0  4  0.1115  0.0000  0.9259  1
  Ho  Ho1  4  0.1321  0.5000  0.3477  1
  Se  Se2  4  0.0901  0.5000  0.6828  1
  F  F3  4  0.0855  0.0000  0.1872  1
  F  F4  4  0.1922  0.0000  0.4639  1
  F  F5  4  0.2135  0.5000  0.0992  1
]