data_ScCdTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   17.61
_cell_angle_beta   17.61
_cell_angle_gamma   17.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdTc2
_chemical_formula_sum   'Sc1 Cd1 Tc2'
_cell_volume   69.48
_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
  Cd  Cd0  1  0.0  0.0  0.09  1.0
  Tc  Tc2  1  0.0  0.0  0.08  1.0
  Tc  Tc3  1  0.0  0.0  0.11  1.0

data_ScCdTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   2.92
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCdTc2
_chemical_formula_sum   'Sc2 Cd2 Tc4'
_cell_volume   138.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.91  1.0
  Tc  Tc2  2  0.0  0.0  0.89  1.0
  Tc  Tc3  2  0.0  0.0  0.92  1.0

Sc Cd Tc Tc
Sc Cd Tc Tc 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 