data_TaVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.03
_cell_angle_alpha   101.77
_cell_angle_beta   101.77
_cell_angle_gamma   35.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVAu2
_chemical_formula_sum   'Ta1 V1 Au2'
_cell_volume   67.61
_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
  Ta  Ta2  1  0.02  0.0  0.45  1.0
  V  V3  1  0.8  0.0  0.2  1.0
  Au  Au0  1  0.07  0.0  0.08  1.0
  Au  Au1  1  0.49  0.0  0.64  1.0

data_TaVAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.89
_cell_length_c   5.03
_cell_angle_alpha   101.77
_cell_angle_beta   90.0
_cell_angle_gamma   107.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVAu2
_chemical_formula_sum   'Ta1 V1 Au2'
_cell_volume   67.61
_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
  Ta  Ta0  1  0.0  0.98  0.55  1.0
  V  V1  1  0.0  0.2  0.8  1.0
  Au  Au2  1  0.0  0.51  0.36  1.0
  Au  Au3  1  0.0  0.93  0.92  1.0

Ta V Au Au