[CIF]
data_CaTi2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07432329
_cell_length_b   3.79584687
_cell_length_c   7.32968411
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2Zn
_chemical_formula_sum   'Ca1 Ti2 Zn1'
_cell_volume   85.53492468
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti1  1  1.53716165  1.89792344  2.40561647  1
  Ti  Ti2  1  1.53716165  1.89792344  4.92406764  1
  Zn  Zn3  1  0.00000000  0.00000000  3.66484205  1
[/CIF]
