data_ScTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   6.56
_cell_angle_alpha   107.35
_cell_angle_beta   107.35
_cell_angle_gamma   33.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc
_chemical_formula_sum   'Sc3 Tc3'
_cell_volume   105.7
_cell_formula_units_Z   3
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  0.1  0.0  0.93  1.0
  Sc  Sc1  1  0.24  0.0  0.87  1.0
  Sc  Sc2  1  0.11  0.0  0.62  1.0
  Tc  Tc3  1  0.23  0.0  0.93  1.0
  Tc  Tc4  1  0.34  0.0  0.65  1.0
  Tc  Tc5  1  0.13  0.0  0.74  1.0

data_ScTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.53
_cell_length_c   6.56
_cell_angle_alpha   107.35
_cell_angle_beta   90.0
_cell_angle_gamma   106.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc
_chemical_formula_sum   'Sc3 Tc3'
_cell_volume   105.7
_cell_formula_units_Z   3
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  0.76  0.13  1.0
  Sc  Sc1  1  0.0  0.89  0.38  1.0
  Sc  Sc2  1  0.0  0.9  0.07  1.0
  Tc  Tc3  1  0.0  0.66  0.35  1.0
  Tc  Tc4  1  0.0  0.77  0.07  1.0
  Tc  Tc5  1  0.0  0.87  0.26  1.0

Sc Sc Sc Tc Tc Tc