data_ZrScTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScTc
_chemical_formula_sum   'Zr1 Sc1 Tc1'
_cell_volume   57.63
_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
  Zr  Zr2  1  0.0  0.65  0.93  1.0
  Sc  Sc0  1  0.0  0.0  0.17  1.0
  Tc  Tc1  1  0.3  0.33  0.05  1.0

data_ZrScTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScTc
_chemical_formula_sum   'Zr1 Sc1 Tc1'
_cell_volume   57.63
_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
  Zr  Zr0  1  0.93  0.0  0.65  1.0
  Sc  Sc1  1  0.17  0.0  0.0  1.0
  Tc  Tc2  1  0.05  0.3  0.33  1.0

Zr Sc Tc
Zr Sc Tc 0 1 o + + 1 2 o o o 