data_[Ho2H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3574]
_cell_length_b [6.8823]
_cell_length_c [5.4092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoHF4]
_chemical_formula_sum '[Ho2 H2 F8]'
_cell_volume [155.4770]
_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  0.4125  0.2500  0.3807  1
  H  H1  2  0.0691  0.7500  0.1309  1
  F  F2  4  0.3755  0.5639  0.2757  1
  F  F3  2  0.0987  0.7500  0.6528  1
  F  F4  2  0.1630  0.2500  0.9336  1
]