[CIF]
data_ZrSc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29425579
_cell_length_b   5.28152416
_cell_length_c   5.36298831
_cell_angle_alpha   90.00000000
_cell_angle_beta   93.57043599
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Cl
_chemical_formula_sum   'Zr1 Sc2 Cl1'
_cell_volume   93.12786606
_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  1.63836425  0.00000000  4.41522748  1
  Sc  Sc1  1  1.91194850  2.64076208  5.04557552  1
  Sc  Sc2  1  1.83908298  0.00000000  1.68366959  1
  Zr  Zr3  1  0.36415836  2.64076208  2.23697421  1
[/CIF]
