data_ScCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuTc2
_chemical_formula_sum   'Sc1 Cu1 Tc2'
_cell_volume   61.14
_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  0.0  1.0
  Cu  Cu0  1  0.66  0.0  0.0  1.0
  Tc  Tc2  1  0.33  0.1  0.37  1.0
  Tc  Tc3  1  0.33  0.9  0.37  1.0

data_ScCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   115.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuTc2
_chemical_formula_sum   'Sc1 Cu1 Tc2'
_cell_volume   61.14
_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
  Cu  Cu1  1  0.0  0.66  0.0  1.0
  Tc  Tc2  1  0.37  0.33  0.9  1.0
  Tc  Tc3  1  0.37  0.33  0.1  1.0

Sc Cu Tc Tc
Sc Cu Tc Tc 0 1 - o o 0 2 o o o 1 3 o - o 2 3 o - o 