data_Sc2ZnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   133.77
_cell_angle_beta   133.77
_cell_angle_gamma   67.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnTc
_chemical_formula_sum   'Sc2 Zn1 Tc1'
_cell_volume   70.79
_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  0.03  0.15  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.3  1.0
  Tc  Tc2  1  0.03  0.0  0.15  1.0

data_Sc2ZnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.17
_cell_angle_alpha   113.11
_cell_angle_beta   113.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnTc
_chemical_formula_sum   'Sc2 Zn1 Tc1'
_cell_volume   70.79
_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  0.0  1.0
  Sc  Sc1  1  0.88  0.03  0.88  1.0
  Zn  Zn2  1  0.7  0.0  0.7  1.0
  Tc  Tc3  1  0.85  0.0  0.88  1.0

Sc Sc Zn Tc
Sc Sc Zn Tc 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 