data_[Pr2Tl4B4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8302]
_cell_length_b [5.5963]
_cell_length_c [7.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrTl2(BO3)2]
_chemical_formula_sum '[Pr2 Tl4 B4 O12]'
_cell_volume [339.5999]
_cell_formula_units_Z [2]
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
[
  Pr  Pr0  2  0.0000  0.5000  0.5000  1
  Tl  Tl1  4  0.1917  0.5000  0.1284  1
  B  B2  4  0.0433  0.0000  0.2575  1
  O  O3  8  0.0374  0.2126  0.7538  1
  O  O4  4  0.1941  0.0000  0.2833  1
]