data_SiTcPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   149.92
_cell_angle_beta   132.43
_cell_angle_gamma   57.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcPt2
_chemical_formula_sum   'Si1 Tc1 Pt2'
_cell_volume   59.23
_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  0.8  1.0
  Tc  Tc3  1  0.0  0.2  0.99  1.0
  Pt  Pt0  1  0.0  0.0  0.5  1.0
  Pt  Pt1  1  0.41  0.0  0.81  1.0

data_SiTcPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.39
_cell_length_c   5.44
_cell_angle_alpha   113.78
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcPt2
_chemical_formula_sum   'Si1 Tc1 Pt2'
_cell_volume   59.23
_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  0.01  0.21  0.21  1.0
  Si  Si1  1  0.2  0.2  0.2  1.0
  Pt  Pt2  1  0.5  0.5  0.5  1.0
  Pt  Pt3  1  0.6  0.19  0.6  1.0

Si Tc Pt Pt