data_[Dy4Cl4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9467]
_cell_length_b [3.5627]
_cell_length_c [7.3427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyClF]
_chemical_formula_sum '[Dy4 Cl4 F4]'
_cell_volume [327.9643]
_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
[
  Dy  Dy0  4  0.2075  0.5000  0.7562  1
  Cl  Cl1  4  0.1471  0.5000  0.3288  1
  F  F2  4  0.1079  0.0000  0.6948  1
]