data_TiVZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   134.5
_cell_angle_beta   134.5
_cell_angle_gamma   66.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVZn2
_chemical_formula_sum   'Ti1 V1 Zn2'
_cell_volume   58.9
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.89  0.0  0.05  1.0
  Zn  Zn2  1  0.0  0.0  0.1  1.0
  Zn  Zn3  1  0.0  0.89  0.05  1.0

data_TiVZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   4.9
_cell_angle_alpha   112.75
_cell_angle_beta   112.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVZn2
_chemical_formula_sum   'Ti1 V1 Zn2'
_cell_volume   58.9
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.05  0.16  0.16  1.0
  Zn  Zn2  1  0.1  0.1  0.1  1.0
  Zn  Zn3  1  0.16  0.05  0.16  1.0

Ti V Zn Zn