data_TaV2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Te
_chemical_formula_sum   'Ta1 V2 Te1'
_cell_volume   65.56
_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  0.01  0.0  0.0  1.0
  V  V2  1  0.5  0.59  0.72  1.0
  V  V3  1  0.5  0.41  0.72  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0

data_TaV2Te
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.37
_cell_length_b   3.44
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   93.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TaV2Te
_chemical_formula_sum   'Ta1 V2 Te1'
_cell_volume   65.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  1.0
  V  V1  2  0.5  0.28  0.59  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0

Ta V V Te