[CIF]
data_Zr2TiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88292452
_cell_length_b   4.88292452
_cell_length_c   4.88292452
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiCl
_chemical_formula_sum   'Zr2 Ti1 Cl1'
_cell_volume   82.32372917
_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
  Cl  Cl0  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti1  1  3.45274904  3.45274904  3.45274904  1
  Zr  Zr2  1  5.17912356  5.17912356  5.17912356  1
  Zr  Zr3  1  1.72637452  1.72637452  1.72637452  1
[/CIF]
