data_[Yb6Ti6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.5392]
_cell_length_b [5.9630]
_cell_length_c [12.6808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [YbTi]
_chemical_formula_sum '[Yb6 Ti6]'
_cell_volume [343.2364]
_cell_formula_units_Z [6]
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
[
  Yb  Yb0  2  0.0000  0.0000  0.9746  1
  Yb  Yb1  2  0.0000  0.5000  0.2894  1
  Yb  Yb2  2  0.0000  0.5000  0.7960  1
  Ti  Ti3  4  0.0000  0.2603  0.5430  1
  Ti  Ti4  2  0.0000  0.0000  0.3734  1
]