data_Ta2SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   132.16
_cell_angle_beta   132.16
_cell_angle_gamma   69.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnTe
_chemical_formula_sum   'Ta2 Sn1 Te1'
_cell_volume   82.71
_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  0.17  0.0  0.19  1.0
  Ta  Ta2  1  0.0  0.0  0.39  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.17  0.19  1.0

data_Ta2SnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.35
_cell_angle_alpha   113.92
_cell_angle_beta   113.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnTe
_chemical_formula_sum   'Ta2 Sn1 Te1'
_cell_volume   82.71
_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  0.19  0.02  0.02  1.0
  Ta  Ta1  1  0.39  0.39  0.39  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.02  0.19  0.02  1.0

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