data_Sc2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.39
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcIr
_chemical_formula_sum   'Sc2 Tc1 Ir1'
_cell_volume   69.52
_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  0.23  1.0
  Sc  Sc2  1  0.46  0.2  0.53  1.0
  Tc  Tc3  1  0.0  0.0  0.6  1.0
  Ir  Ir0  1  0.46  0.2  0.18  1.0

data_Sc2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.39
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcIr
_chemical_formula_sum   'Sc2 Tc1 Ir1'
_cell_volume   69.52
_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  0.0  0.23  1.0
  Sc  Sc1  1  0.46  0.2  0.53  1.0
  Tc  Tc2  1  0.0  0.0  0.6  1.0
  Ir  Ir3  1  0.46  0.2  0.18  1.0

Sc Sc Tc Ir