data_Sc2TcPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   143.41
_cell_angle_beta   133.08
_cell_angle_gamma   60.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcPt
_chemical_formula_sum   'Sc2 Tc1 Pt1'
_cell_volume   70.15
_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
  Sc  Sc1  1  0.0  0.0  0.33  1.0
  Sc  Sc2  1  0.71  0.0  0.46  1.0
  Tc  Tc3  1  0.0  0.0  0.75  1.0
  Pt  Pt0  1  0.0  0.17  0.29  1.0

data_Sc2TcPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.35
_cell_length_c   5.46
_cell_angle_alpha   113.46
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcPt
_chemical_formula_sum   'Sc2 Tc1 Pt1'
_cell_volume   70.15
_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
  Sc  Sc0  1  0.0  0.33  0.33  1.0
  Sc  Sc1  1  0.0  0.46  0.74  1.0
  Tc  Tc2  1  0.0  0.75  0.75  1.0
  Pt  Pt3  1  0.83  0.12  0.12  1.0

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