data_TaPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   132.77
_cell_angle_beta   132.77
_cell_angle_gamma   69.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtCl2
_chemical_formula_sum   'Ta1 Pt1 Cl2'
_cell_volume   67.96
_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  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.16  1.0
  Cl  Cl0  1  0.02  0.0  0.08  1.0
  Cl  Cl1  1  0.0  0.02  0.08  1.0

data_TaPtCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   124.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaPtCl2
_chemical_formula_sum   'Ta2 Pt2 Cl4'
_cell_volume   135.93
_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  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.16  1.0
  Cl  Cl2  4  0.49  0.49  0.06  1.0

Ta Pt Cl Cl