data_[Lu16B24O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5628]
_cell_length_b [4.3733]
_cell_length_c [18.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4(B2O5)3]
_chemical_formula_sum '[Lu16 B24 O60]'
_cell_volume [938.8748]
_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  0.1340  0.1969  0.0997  1
  Lu  Lu1  8  0.1373  0.2055  0.3018  1
  B  B2  8  0.0689  0.2726  0.6941  1
  B  B3  8  0.0968  0.2942  0.9129  1
  B  B4  8  0.1687  0.1895  0.4746  1
  O  O5  8  0.0152  0.1722  0.6211  1
  O  O6  8  0.0661  0.3993  0.1967  1
  O  O7  8  0.0837  0.3707  0.4287  1
  O  O8  8  0.1268  0.1236  0.9807  1
  O  O9  8  0.1820  0.2534  0.8613  1
  O  O10  8  0.1839  0.1319  0.7042  1
  O  O11  8  0.2080  0.2993  0.5499  1
  O  O12  4  0.0000  0.1298  0.7500  1
]