data_[Lu4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4703]
_cell_length_b [5.4000]
_cell_length_c [5.4916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LuOF]
_chemical_formula_sum '[Lu4 O4 F4]'
_cell_volume [159.8062]
_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
[
  Lu  Lu0  4  0.3071  0.0262  0.2130  1.0
  O  O1  4  0.4595  0.7465  0.9898  1.0
  F  F2  4  0.0575  0.1744  0.8436  1.0
]