data_TaZnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnSb2
_chemical_formula_sum   'Ta1 Zn1 Sb2'
_cell_volume   91.3
_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  Ta2  1  0.54  0.54  0.1  1.0
  Zn  Zn3  1  0.0  0.0  0.89  1.0
  Sb  Sb0  1  0.54  0.54  0.04  1.0
  Sb  Sb1  1  0.0  0.0  0.96  1.0

data_TaZnSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaZnSb2
_chemical_formula_sum   'Ta2 Zn2 Sb4'
_cell_volume   182.61
_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  0.04  0.5  0.1  1.0
  Zn  Zn1  2  0.0  0.0  0.89  1.0
  Sb  Sb2  2  0.0  0.0  0.96  1.0
  Sb  Sb3  2  0.04  0.5  0.04  1.0

Ta Zn Sb Sb
Ta Zn Sb Sb 0 2 o o o 1 3 o o o 