data_InTc2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   3.86
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Pt
_chemical_formula_sum   'In1 Tc2 Pt1'
_cell_volume   65.49
_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
  In  In0  1  0.0  0.0  0.99  1.0
  Tc  Tc2  1  0.0  0.0  0.16  1.0
  Tc  Tc3  1  0.44  0.93  0.26  1.0
  Pt  Pt1  1  0.44  0.93  0.44  1.0

data_InTc2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.86
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Pt
_chemical_formula_sum   'In1 Tc2 Pt1'
_cell_volume   65.49
_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
  In  In0  1  0.0  0.0  0.99  1.0
  Tc  Tc1  1  0.0  0.0  0.16  1.0
  Tc  Tc2  1  0.44  0.93  0.26  1.0
  Pt  Pt3  1  0.44  0.93  0.44  1.0

In Tc Tc Pt
In Tc Tc Pt 0 1 o o + 2 3 o o o 