data_[Ho2Cl4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0246]
_cell_length_b [3.5343]
_cell_length_c [18.1087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HoCl2F]
_chemical_formula_sum '[Ho2 Cl4 F2]'
_cell_volume [641.5849]
_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  0.4416  0.5000  0.5073  1
  Cl  Cl1  2  0.2267  0.0000  0.5182  1
  Cl  Cl2  2  0.4886  0.0000  0.4014  1
  F  F3  2  0.4925  0.0000  0.5731  1
]