[CIF]
data_ZrScTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46624224
_cell_length_b   3.46624224
_cell_length_c   6.81608718
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScTi2
_chemical_formula_sum   'Zr1 Sc1 Ti2'
_cell_volume   81.89416463
_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
  Sc  Sc0  1  0.00000000  0.00000000  5.29832158  1
  Ti  Ti1  1  1.73312112  1.73312112  0.27227365  1
  Ti  Ti2  1  0.00000000  0.00000000  1.46489165  1
  Zr  Zr3  1  1.73312112  1.73312112  3.18864397  1
[/CIF]
