data_[Tm2Ni1B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  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 [4.0930]
_cell_length_b [5.3658]
_cell_length_c [6.4341]
_cell_angle_alpha [90.7777]
_cell_angle_beta [107.8211]
_cell_angle_gamma [103.3479]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm2Ni(BO3)2]
_chemical_formula_sum '[Tm2 Ni1 B2 O6]'
_cell_volume [130.3510]
_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
[
  Tm  Tm0  2  0.4055  0.1317  0.7348  1
  Ni  Ni1  1  0.0000  0.5000  0.5000  1
  B  B2  2  0.2789  0.2726  0.2300  1
  O  O3  2  0.1952  0.0625  0.3541  1
  O  O4  2  0.2137  0.5047  0.2722  1
  O  O5  2  0.4053  0.2054  0.0680  1
]