data_SiTcPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.62
_cell_angle_alpha   107.16
_cell_angle_beta   107.16
_cell_angle_gamma   33.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcPt2
_chemical_formula_sum   'Si1 Tc1 Pt2'
_cell_volume   58.29
_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
  Si  Si2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.02  0.0  0.2  1.0
  Pt  Pt0  1  0.55  0.0  0.06  1.0
  Pt  Pt1  1  0.48  0.0  0.34  1.0

data_SiTcPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.62
_cell_length_c   4.93
_cell_angle_alpha   107.16
_cell_angle_beta   106.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcPt2
_chemical_formula_sum   'Si1 Tc1 Pt2'
_cell_volume   58.29
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.2  0.02  1.0
  Pt  Pt2  1  0.0  0.06  0.55  1.0
  Pt  Pt3  1  0.0  0.34  0.48  1.0

Si Tc Pt Pt
Si Tc Pt Pt 0 1 o o o 2 3 o o o 