data_[Lu2Zn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2365]
_cell_length_b [6.3036]
_cell_length_c [6.3494]
_cell_angle_alpha [111.1616]
_cell_angle_beta [95.7632]
_cell_angle_gamma [95.3804]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LuZnF4]
_chemical_formula_sum '[Lu2 Zn2 F8]'
_cell_volume [155.7753]
_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
[
  Lu  Lu0  2  0.0006  0.3179  0.6856  1.0
  Zn  Zn1  2  0.3993  0.1357  0.1395  1.0
  F  F2  2  0.0810  0.3431  0.0575  1.0
  F  F3  2  0.0938  0.0575  0.3493  1.0
  F  F4  2  0.2665  0.6017  0.5979  1.0
  F  F5  2  0.4995  0.7228  0.2659  1.0
]