data_Ta2FeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   136.44
_cell_angle_beta   136.44
_cell_angle_gamma   63.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeTe
_chemical_formula_sum   'Ta2 Fe1 Te1'
_cell_volume   66.56
_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  Ta1  1  0.94  0.0  0.22  1.0
  Ta  Ta2  1  0.0  0.94  0.22  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.44  1.0

data_Ta2FeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   121.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2FeTe
_chemical_formula_sum   'Ta4 Fe2 Te2'
_cell_volume   133.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.25  0.47  0.72  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.06  0.5  0.56  1.0

Ta Ta Fe Te