data_TaSi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.66
_cell_angle_alpha   98.34
_cell_angle_beta   98.34
_cell_angle_gamma   33.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi2Cl
_chemical_formula_sum   'Ta1 Si2 Cl1'
_cell_volume   67.13
_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  0.57  0.0  0.3  1.0
  Si  Si1  1  0.38  0.0  0.35  1.0
  Si  Si2  1  0.75  0.0  0.26  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TaSi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.66
_cell_length_c   5.14
_cell_angle_alpha   98.34
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi2Cl
_chemical_formula_sum   'Ta1 Si2 Cl1'
_cell_volume   67.13
_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  0.3  0.57  1.0
  Si  Si1  1  0.0  0.26  0.75  1.0
  Si  Si2  1  0.0  0.35  0.38  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Si Si Cl