data_[Ho2Co2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4755]
_cell_length_b [5.6928]
_cell_length_c [5.4857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoCoF6]
_chemical_formula_sum '[Ho2 Co2 F12]'
_cell_volume [242.5097]
_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  0.0000  0.5000  0.5000  1.0
  Co  Co1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0509  0.2312  0.2792  1.0
  F  F3  4  0.2292  0.0000  0.1255  1.0
]