data_[Tb1Sc3B4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8529]
_cell_length_b [5.9711]
_cell_length_c [7.7059]
_cell_angle_alpha [105.2975]
_cell_angle_beta [90.1028]
_cell_angle_gamma [89.9924]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbSc3(BO3)4]
_chemical_formula_sum '[Tb1 Sc3 B4 O12]'
_cell_volume [215.3843]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc3  1  0.5000  0.5000  0.5000  1.0
  B  B4  2  0.0026  0.4917  0.7468  1.0
  B  B5  2  0.4975  0.9963  0.2591  1.0
  O  O6  2  0.1438  0.3529  0.6011  1.0
  O  O7  2  0.1505  0.6251  0.8915  1.0
  O  O8  2  0.2134  0.9992  0.2655  1.0
  O  O9  2  0.2841  0.4967  0.2506  1.0
  O  O10  2  0.3491  0.8536  0.6076  1.0
  O  O11  2  0.3745  0.1513  0.8879  1.0
]