data_Zr2VTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.49
_cell_angle_alpha   91.22
_cell_angle_beta   91.22
_cell_angle_gamma   105.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VTe
_chemical_formula_sum   'Zr2 V1 Te1'
_cell_volume   80.36
_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  0.42  0.94  0.74  1.0
  Zr  Zr3  1  0.42  0.06  0.74  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.97  0.0  0.0  1.0

data_Zr2VTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   105.27
_cell_angle_beta   91.22
_cell_angle_gamma   91.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VTe
_chemical_formula_sum   'Zr2 V1 Te1'
_cell_volume   80.36
_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  0.74  0.42  0.06  1.0
  Zr  Zr1  1  0.74  0.42  0.94  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.97  0.0  1.0

Zr Zr V Te
Zr Zr V Te 0 1 o + o 2 3 - o o 