data_[Rb2Ti2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1826]
_cell_length_b [4.1792]
_cell_length_c [12.8525]
_cell_angle_alpha [83.4905]
_cell_angle_beta [87.9570]
_cell_angle_gamma [67.6535]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbTiB]
_chemical_formula_sum '[Rb2 Ti2 B2]'
_cell_volume [157.0866]
_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
[
  Rb  Rb0  1  0.4938  0.6282  0.9012  1
  Rb  Rb1  1  0.8987  0.0035  0.2584  1
  Ti  Ti2  1  0.1573  0.4155  0.5077  1
  Ti  Ti3  1  0.7508  0.1830  0.6669  1
  B  B4  1  0.0349  0.6169  0.6594  1
  B  B5  1  0.4656  0.7680  0.6153  1
]