data_TcSnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.06
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   93.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnPt2
_chemical_formula_sum   'Tc1 Sn1 Pt2'
_cell_volume   66.86
_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  0.0  1.0
  Sn  Sn2  1  0.83  0.0  0.82  1.0
  Pt  Pt0  1  0.44  0.03  0.33  1.0
  Pt  Pt1  1  0.14  0.03  0.31  1.0

data_TcSnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.06
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   93.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnPt2
_chemical_formula_sum   'Tc1 Sn1 Pt2'
_cell_volume   66.86
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.83  0.0  0.82  1.0
  Pt  Pt2  1  0.14  0.03  0.31  1.0
  Pt  Pt3  1  0.44  0.03  0.33  1.0

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