data_ScTcGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   4.26
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcGe2
_chemical_formula_sum   'Sc1 Tc1 Ge2'
_cell_volume   66.3
_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  Sc2  1  0.03  0.0  0.97  1.0
  Tc  Tc3  1  0.5  0.13  0.03  1.0
  Ge  Ge0  1  0.19  0.0  0.52  1.0
  Ge  Ge1  1  0.66  0.13  0.37  1.0

data_ScTcGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.26
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcGe2
_chemical_formula_sum   'Sc1 Tc1 Ge2'
_cell_volume   66.3
_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  0.03  0.0  0.97  1.0
  Tc  Tc1  1  0.5  0.13  0.03  1.0
  Ge  Ge2  1  0.19  0.0  0.52  1.0
  Ge  Ge3  1  0.66  0.13  0.37  1.0

Sc Tc Ge Ge
Sc Tc Ge Ge 0 1 o o + 1 3 o o o 2 3 - o o 2 3 o o o 