data_[Ho2Se2F2]
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 [Pc]
_cell_length_a [3.7144]
_cell_length_b [20.1599]
_cell_length_c [5.5401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [HoSeF]
_chemical_formula_sum '[Ho2 Se2 F2]'
_cell_volume [382.6936]
_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
[
  Ho  Ho0  2  0.6287  0.0738  0.0882  1
  Se  Se1  2  0.3646  0.0569  0.5247  1
  F  F2  2  0.0885  0.1280  0.0010  1
]