data_TaVZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   144.79
_cell_angle_beta   130.49
_cell_angle_gamma   62.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVZn2
_chemical_formula_sum   'Ta1 V1 Zn2'
_cell_volume   60.36
_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
  Ta  Ta0  1  0.0  0.0  0.44  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.57  0.0  0.09  1.0
  Zn  Zn3  1  0.0  0.17  0.35  1.0

data_TaVZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.34
_cell_length_c   5.18
_cell_angle_alpha   114.76
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVZn2
_chemical_formula_sum   'Ta1 V1 Zn2'
_cell_volume   60.36
_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
  Ta  Ta0  1  0.56  0.56  0.56  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.48  0.91  0.48  1.0
  Zn  Zn3  1  0.65  0.82  0.82  1.0

Ta V Zn Zn