data_Ta3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Te
_chemical_formula_sum   'Ta3 Te1'
_cell_volume   77.34
_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  0.77  0.77  0.53  1.0
  Ta  Ta1  1  0.0  0.0  0.09  1.0
  Ta  Ta2  1  0.77  0.77  0.64  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Ta3Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta3Te
_chemical_formula_sum   'Ta6 Te2'
_cell_volume   154.68
_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  2  0.0  0.0  0.09  1.0
  Ta  Ta1  2  0.27  0.5  0.53  1.0
  Ta  Ta2  2  0.27  0.5  0.64  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Ta Ta Ta Te
Ta Ta Ta Te 0 2 o o o 1 3 o o o 