data_TaAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   158.16
_cell_angle_beta   143.64
_cell_angle_gamma   42.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsCl2
_chemical_formula_sum   'Ta1 As1 Cl2'
_cell_volume   105.1
_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  0.48  0.0  0.22  1.0
  As  As0  1  0.0  0.0  0.43  1.0
  Cl  Cl1  1  0.0  0.44  0.22  1.0
  Cl  Cl2  1  0.0  0.0  0.24  1.0

data_TaAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.88
_cell_length_c   7.82
_cell_angle_alpha   108.18
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsCl2
_chemical_formula_sum   'Ta1 As1 Cl2'
_cell_volume   105.1
_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  0.22  0.74  1.0
  As  As1  1  0.0  0.43  0.43  1.0
  Cl  Cl2  1  0.0  0.24  0.24  1.0
  Cl  Cl3  1  0.56  0.78  0.78  1.0

Ta As Cl Cl