data_TaSb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.85
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   106.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb2As
_chemical_formula_sum   'Ta1 Sb2 As1'
_cell_volume   105.81
_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  0.29  0.0  0.44  1.0
  Sb  Sb1  1  0.64  0.43  0.39  1.0
  Sb  Sb2  1  0.42  0.43  0.49  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TaSb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.85
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   106.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb2As
_chemical_formula_sum   'Ta1 Sb2 As1'
_cell_volume   105.81
_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  0.29  0.0  0.44  1.0
  Sb  Sb1  1  0.42  0.43  0.49  1.0
  Sb  Sb2  1  0.64  0.43  0.39  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ta Sb Sb As