data_[Yb4Ti4Cl4O12]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8854]
_cell_length_b [3.8785]
_cell_length_c [9.9785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbTiClO3]
_chemical_formula_sum '[Yb4 Ti4 Cl4 O12]'
_cell_volume [367.3460]
_cell_formula_units_Z [4]
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  4  0.2263  0.5000  0.2004  1
  Ti  Ti1  4  0.1180  0.0000  0.4308  1
  Cl  Cl2  4  0.1136  0.5000  0.9060  1
  O  O3  4  0.0766  0.0000  0.6232  1
  O  O4  4  0.1513  0.0000  0.2543  1
  O  O5  4  0.1676  0.5000  0.4382  1
]