data_[Y6O5F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5132]
_cell_length_b [5.5398]
_cell_length_c [8.7480]
_cell_angle_alpha [74.3231]
_cell_angle_beta [87.9514]
_cell_angle_gamma [89.3263]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y6O5F8]
_chemical_formula_sum '[Y6 O5 F8]'
_cell_volume [257.0762]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.1894  0.5849  0.3338  1.0
  Y  Y1  1  0.2169  0.2088  0.0218  1.0
  Y  Y2  1  0.2243  0.9503  0.6472  1.0
  Y  Y3  1  0.7805  0.4053  0.6833  1.0
  Y  Y4  1  0.7849  0.0894  0.3477  1.0
  Y  Y5  1  0.7929  0.7418  0.9987  1.0
  O  O6  1  0.0063  0.2568  0.5022  1.0
  O  O7  1  0.9738  0.9116  0.1770  1.0
  O  O8  1  0.9802  0.4228  0.1643  1.0
  O  O9  1  0.9810  0.7463  0.5159  1.0
  O  O10  1  0.9828  0.0701  0.8370  1.0
  F  F11  1  0.0833  0.5743  0.8358  1.0
  F  F12  1  0.4306  0.2808  0.2335  1.0
  F  F13  1  0.4441  0.1545  0.8018  1.0
  F  F14  1  0.4446  0.8294  0.1107  1.0
  F  F15  1  0.4616  0.8199  0.4362  1.0
  F  F16  1  0.5149  0.2985  0.5095  1.0
  F  F17  1  0.5901  0.7565  0.7325  1.0
  F  F18  1  0.6256  0.3894  0.9604  1.0
]