data_Sc2CrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.33
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrTc
_chemical_formula_sum   'Sc2 Cr1 Tc1'
_cell_volume   66.86
_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  0.82  0.17  0.35  1.0
  Sc  Sc2  1  0.02  0.17  0.02  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.92  0.0  0.68  1.0

data_Sc2CrTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.33
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrTc
_chemical_formula_sum   'Sc2 Cr1 Tc1'
_cell_volume   66.86
_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  0.02  0.17  0.02  1.0
  Sc  Sc1  1  0.82  0.17  0.35  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.92  0.0  0.68  1.0

Sc Sc Cr Tc
Sc Sc Cr Tc 0 2 + o o 0 3 o o o 0 1 + o o 1 2 o o o 1 3 - o - 2 3 - o - 