data_TaAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.35
_cell_angle_alpha   99.25
_cell_angle_beta   99.25
_cell_angle_gamma   39.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs2Cl
_chemical_formula_sum   'Ta1 As2 Cl1'
_cell_volume   79.91
_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  0.17  0.0  0.63  1.0
  As  As0  1  0.85  0.0  0.69  1.0
  As  As1  1  0.48  0.0  0.58  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_TaAs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.91
_cell_length_c   5.35
_cell_angle_alpha   99.25
_cell_angle_beta   90.0
_cell_angle_gamma   109.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs2Cl
_chemical_formula_sum   'Ta1 As2 Cl1'
_cell_volume   79.91
_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  0.83  0.37  1.0
  As  As1  1  0.0  0.15  0.31  1.0
  As  As2  1  0.0  0.52  0.42  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta As As Cl