data_[Lu28O24F36]
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 [Aem2]
_cell_length_a [5.2624]
_cell_length_b [37.5776]
_cell_length_c [5.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [39]
_chemical_formula_structural [Lu7(O2F3)3]
_chemical_formula_sum '[Lu28 O24 F36]'
_cell_volume [1052.6639]
_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  8  0.2003  0.0999  0.7758  1
  Lu  Lu1  8  0.2350  0.1693  0.2615  1
  Lu  Lu2  8  0.2368  0.0290  0.2463  1
  Lu  Lu3  4  0.2413  0.2500  0.7010  1
  O  O4  8  0.0240  0.1425  0.5336  1
  O  O5  8  0.0413  0.0697  0.4911  1
  O  O6  4  0.0000  0.0000  0.4993  1
  O  O7  4  0.5000  0.0000  0.4874  1
  F  F8  8  0.0556  0.2155  0.9922  1
  F  F9  8  0.4005  0.1988  0.6301  1
  F  F10  8  0.4535  0.0776  0.1002  1
  F  F11  8  0.4635  0.1420  0.9514  1
  F  F12  4  0.3645  0.2500  0.3186  1
]