data_TaSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   128.7
_cell_angle_beta   128.7
_cell_angle_gamma   75.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb2Cl
_chemical_formula_sum   'Ta1 Sb2 Cl1'
_cell_volume   87.28
_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  0.0  0.0  0.18  1.0
  Sb  Sb1  1  0.29  0.0  0.09  1.0
  Sb  Sb2  1  0.0  0.29  0.09  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TaSb2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   127.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSb2Cl
_chemical_formula_sum   'Ta2 Sb4 Cl2'
_cell_volume   174.57
_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  0.0  0.0  0.18  1.0
  Sb  Sb1  4  0.36  0.36  0.8  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Ta Sb Sb Cl
Ta Sb Sb Cl 0 3 o o o 1 3 o o o 2 3 o o o 