data_Tc2PbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   125.69
_cell_angle_beta   125.69
_cell_angle_gamma   80.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PbCl
_chemical_formula_sum   'Tc2 Pb1 Cl1'
_cell_volume   72.4
_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  Tc2  1  0.0  0.0  0.7  1.0
  Tc  Tc3  1  0.0  0.21  0.85  1.0
  Pb  Pb1  1  0.21  0.0  0.85  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Tc2PbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.85
_cell_angle_alpha   117.15
_cell_angle_beta   117.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PbCl
_chemical_formula_sum   'Tc2 Pb1 Cl1'
_cell_volume   72.4
_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  Tc0  1  0.64  0.85  0.64  1.0
  Tc  Tc1  1  0.7  0.7  0.7  1.0
  Pb  Pb2  1  0.85  0.64  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tc Tc Pb Cl
Tc Tc Pb Cl 0 1 o o o 0 2 o o o 0 3 o o + 1 3 o o + 2 3 o o + 