data_VTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTeAu2
_chemical_formula_sum   'V1 Te1 Au2'
_cell_volume   78.1
_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
  V  V3  1  0.0  0.0  0.73  1.0
  Te  Te2  1  0.27  0.0  0.25  1.0
  Au  Au0  1  0.27  0.0  0.12  1.0
  Au  Au1  1  0.0  0.0  0.64  1.0

data_VTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTeAu2
_chemical_formula_sum   'V1 Te1 Au2'
_cell_volume   78.1
_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
  V  V0  1  0.0  0.0  0.73  1.0
  Te  Te1  1  0.27  0.0  0.25  1.0
  Au  Au2  1  0.0  0.0  0.64  1.0
  Au  Au3  1  0.27  0.0  0.12  1.0

V Te Au Au
V Te Au Au 0 3 o o o 1 2 o o o 