data_TiV2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Zn
_chemical_formula_sum   'Ti1 V2 Zn1'
_cell_volume   57.72
_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  0.06  1.0
  V  V1  1  0.58  0.0  0.53  1.0
  V  V2  1  0.0  0.0  0.54  1.0
  Zn  Zn3  1  0.58  0.0  0.37  1.0

data_TiV2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Zn
_chemical_formula_sum   'Ti1 V2 Zn1'
_cell_volume   57.72
_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  0.06  1.0
  V  V1  1  0.0  0.0  0.54  1.0
  V  V2  1  0.58  0.0  0.53  1.0
  Zn  Zn3  1  0.58  0.0  0.37  1.0

Ti V V Zn