data_Ta2SiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   132.47
_cell_angle_beta   132.47
_cell_angle_gamma   69.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiTe
_chemical_formula_sum   'Ta2 Si1 Te1'
_cell_volume   73.3
_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  0.08  0.0  0.12  1.0
  Ta  Ta2  1  0.0  0.0  0.24  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.08  0.12  1.0

data_Ta2SiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.16
_cell_angle_alpha   113.76
_cell_angle_beta   113.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiTe
_chemical_formula_sum   'Ta2 Si1 Te1'
_cell_volume   73.3
_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  0.12  0.04  0.04  1.0
  Ta  Ta1  1  0.24  0.24  0.24  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.04  0.12  0.04  1.0

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