data_TcPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   151.76
_cell_angle_beta   128.5
_cell_angle_gamma   59.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt2Cl
_chemical_formula_sum   'Tc1 Pt2 Cl1'
_cell_volume   67.1
_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  0.46  0.01  1.0
  Pt  Pt1  1  0.38  0.0  0.16  1.0
  Pt  Pt2  1  0.0  0.0  0.71  1.0
  Cl  Cl0  1  0.0  0.0  0.95  1.0

data_TcPt2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.93
_cell_length_c   5.67
_cell_angle_alpha   115.75
_cell_angle_beta   104.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt2Cl
_chemical_formula_sum   'Tc1 Pt2 Cl1'
_cell_volume   67.1
_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  0.99  0.45  0.45  1.0
  Pt  Pt1  1  0.22  0.84  0.22  1.0
  Pt  Pt2  1  0.29  0.29  0.29  1.0
  Cl  Cl3  1  0.05  0.05  0.05  1.0

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