data_Si2TcPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   123.36
_cell_angle_beta   123.36
_cell_angle_gamma   84.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcPt
_chemical_formula_sum   'Si2 Tc1 Pt1'
_cell_volume   54.7
_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  Si1  1  0.06  0.0  0.61  1.0
  Si  Si2  1  0.0  0.06  0.61  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.22  1.0

data_Si2TcPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   132.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2TcPt
_chemical_formula_sum   'Si4 Tc2 Pt2'
_cell_volume   109.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.47  0.47  0.55  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.22  1.0

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