data_ScTc2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   145.39
_cell_angle_beta   133.0
_cell_angle_gamma   59.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc2Ge
_chemical_formula_sum   'Sc1 Tc2 Ge1'
_cell_volume   62.69
_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
  Tc  Tc2  1  0.59  0.0  0.12  1.0
  Tc  Tc3  1  0.0  0.0  0.3  1.0
  Ge  Ge0  1  0.59  0.0  0.48  1.0

data_ScTc2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.26
_cell_length_c   5.34
_cell_angle_alpha   113.5
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc2Ge
_chemical_formula_sum   'Sc1 Tc2 Ge1'
_cell_volume   62.69
_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  1.0  1.0  1.0  1.0
  Tc  Tc1  1  0.47  0.88  0.47  1.0
  Tc  Tc2  1  0.7  0.7  0.7  1.0
  Ge  Ge3  1  0.11  0.52  0.11  1.0

Sc Tc Tc Ge