data_[Ho4Zr8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.8412]
_cell_length_b [10.0078]
_cell_length_c [10.6862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [HoZr2F11]
_chemical_formula_sum '[Ho4 Zr8 F44]'
_cell_volume [838.5819]
_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  0.0000  0.5000  0.2500  1
  Zr  Zr1  8  0.1385  0.1821  0.0000  1
  F  F2  16  0.1003  0.3217  0.1398  1
  F  F3  16  0.2275  0.4244  0.3660  1
  F  F4  8  0.1276  0.7838  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]