data_[Lu2Se2O6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3007]
_cell_length_b [6.5383]
_cell_length_c [6.9335]
_cell_angle_alpha [90.4382]
_cell_angle_beta [90.9879]
_cell_angle_gamma [95.7627]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LuSeO3F]
_chemical_formula_sum '[Lu2 Se2 O6 F2]'
_cell_volume [193.9426]
_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  0.4629  0.3714  0.2487  1.0
  Se  Se1  2  0.3221  0.1448  0.7442  1.0
  O  O2  2  0.4089  0.0277  0.2465  1.0
  O  O3  2  0.4417  0.3228  0.9271  1.0
  O  O4  2  0.4638  0.3219  0.5705  1.0
  F  F5  2  0.0367  0.6377  0.7488  1.0
]