data_Ta2VTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   142.25
_cell_angle_beta   129.43
_cell_angle_gamma   64.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VTe
_chemical_formula_sum   'Ta2 V1 Te1'
_cell_volume   70.55
_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  0.72  0.0  0.15  1.0
  Ta  Ta1  1  0.0  0.28  0.35  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.5  1.0

data_Ta2VTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.55
_cell_length_c   5.33
_cell_angle_alpha   115.29
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VTe
_chemical_formula_sum   'Ta2 V1 Te1'
_cell_volume   70.55
_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  0.15  0.43  1.0
  Ta  Ta1  1  0.72  0.07  0.07  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.5  0.5  1.0

Ta Ta V Te
Ta Ta V Te 0 1 + o o 0 3 + o o 1 2 o o o 