data_ScRe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.7
_cell_angle_alpha   105.21
_cell_angle_beta   105.21
_cell_angle_gamma   37.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Ge
_chemical_formula_sum   'Sc1 Re2 Ge1'
_cell_volume   65.66
_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  Sc3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.75  0.0  0.31  1.0
  Re  Re2  1  0.27  0.0  0.2  1.0
  Ge  Ge0  1  0.01  0.0  0.26  1.0

data_ScRe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.7
_cell_length_c   4.91
_cell_angle_alpha   105.21
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Ge
_chemical_formula_sum   'Sc1 Re2 Ge1'
_cell_volume   65.66
_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
  Re  Re1  1  0.0  0.2  0.27  1.0
  Re  Re2  1  0.0  0.31  0.75  1.0
  Ge  Ge3  1  0.0  0.26  0.01  1.0

Sc Re Re Ge
Sc Re Re Ge 0 3 o o o 0 2 o o o 1 3 + o o 2 3 o o o 