data_[Lu4B4O12]
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 [Ama2]
_cell_length_a [8.4421]
_cell_length_b [6.5754]
_cell_length_c [4.0954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [LuBO3]
_chemical_formula_sum '[Lu4 B4 O12]'
_cell_volume [227.3363]
_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  0.0000  0.0000  0.0609  1.0
  B  B1  4  0.2500  0.3696  0.1307  1.0
  O  O2  8  0.1002  0.3282  0.0015  1.0
  O  O3  4  0.2500  0.4611  0.4319  1.0
]