data_TcPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.61
_cell_length_b   9.61
_cell_length_c   9.61
_cell_angle_alpha   17.1
_cell_angle_beta   17.1
_cell_angle_gamma   17.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt2Cl
_chemical_formula_sum   'Tc1 Pt2 Cl1'
_cell_volume   66.96
_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
  Tc  Tc3  1  0.0  0.0  0.2  1.0
  Pt  Pt1  1  0.0  0.0  0.28  1.0
  Pt  Pt2  1  0.0  0.0  0.56  1.0
  Cl  Cl0  1  0.0  0.0  0.57  1.0

data_TcPt2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   2.86
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   99.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcPt2Cl
_chemical_formula_sum   'Tc2 Pt4 Cl2'
_cell_volume   133.92
_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
  Tc  Tc0  2  0.0  0.0  0.8  1.0
  Pt  Pt1  2  0.0  0.0  0.44  1.0
  Pt  Pt2  2  0.0  0.0  0.72  1.0
  Cl  Cl3  2  0.0  0.0  0.43  1.0

Tc Pt Pt Cl
Tc Pt Pt Cl 0 1 o o o 2 3 o o o 