data_[Yb12Ti12]
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 [P2_1/m]
_cell_length_a [7.8805]
_cell_length_b [4.7098]
_cell_length_c [17.2748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YbTi]
_chemical_formula_sum '[Yb12 Ti12]'
_cell_volume [637.4537]
_cell_formula_units_Z [12]
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  0.0348  0.7500  0.3157  1
  Yb  Yb1  2  0.0968  0.2500  0.1694  1
  Yb  Yb2  2  0.1455  0.2500  0.4981  1
  Yb  Yb3  2  0.1804  0.7500  0.0248  1
  Yb  Yb4  2  0.2660  0.2500  0.8738  1
  Yb  Yb5  2  0.4077  0.7500  0.4466  1
  Ti  Ti6  2  0.2578  0.7500  0.6356  1
  Ti  Ti7  2  0.3689  0.7500  0.2066  1
  Ti  Ti8  2  0.3885  0.2500  0.6929  1
  Ti  Ti9  2  0.4010  0.2500  0.3206  1
  Ti  Ti10  2  0.4234  0.7500  0.7871  1
  Ti  Ti11  2  0.4662  0.2500  0.0521  1
]