data_[Li2Ho2Co2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P4_2nm]
_cell_length_a [4.9225]
_cell_length_b [4.9225]
_cell_length_c [9.7676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiHoCoF6]
_chemical_formula_sum '[Li2 Ho2 Co2 F12]'
_cell_volume [236.6758]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0038  1.0
  Ho  Ho1  2  0.0000  0.0000  0.6669  1.0
  Co  Co2  2  0.0000  0.0000  0.3334  1.0
  F  F3  4  0.1875  0.8125  0.1686  1.0
  F  F4  4  0.1992  0.8008  0.4937  1.0
  F  F5  4  0.2057  0.7943  0.8356  1.0
]