data_Zr2TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.59
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   103.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiV
_chemical_formula_sum   'Zr2 Ti1 V1'
_cell_volume   77.89
_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
  Zr  Zr2  1  0.88  0.0  0.38  1.0
  Zr  Zr3  1  0.93  0.29  0.5  1.0
  Ti  Ti0  1  0.57  0.0  0.85  1.0
  V  V1  1  0.88  0.29  0.08  1.0

data_Zr2TiV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.59
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   103.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiV
_chemical_formula_sum   'Zr2 Ti1 V1'
_cell_volume   77.89
_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
  Zr  Zr0  1  0.88  0.0  0.38  1.0
  Zr  Zr1  1  0.93  0.29  0.5  1.0
  Ti  Ti2  1  0.57  0.0  0.85  1.0
  V  V3  1  0.88  0.29  0.08  1.0

Zr Zr Ti V