data_TaSn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   3.46
_cell_angle_alpha   104.93
_cell_angle_beta   104.93
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Sb
_chemical_formula_sum   'Ta1 Sn2 Sb1'
_cell_volume   93.89
_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  Ta3  1  0.02  0.0  0.0  1.0
  Sn  Sn1  1  0.62  0.62  0.48  1.0
  Sn  Sn2  1  0.62  0.38  0.48  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0

data_TaSn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.2
_cell_length_c   6.05
_cell_angle_alpha   114.25
_cell_angle_beta   104.93
_cell_angle_gamma   93.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Sb
_chemical_formula_sum   'Ta1 Sn2 Sb1'
_cell_volume   93.89
_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  -0.0  0.0  0.02  1.0
  Sn  Sn1  1  0.1  0.62  0.24  1.0
  Sn  Sn2  1  0.86  0.38  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Ta Sn Sn Sb
Ta Sn Sn Sb 0 3 o o o 1 2 o o o 