data_LaReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   145.17
_cell_angle_beta   119.49
_cell_angle_gamma   71.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReGe2
_chemical_formula_sum   'La1 Re1 Ge2'
_cell_volume   86.04
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.54  1.0
  Ge  Ge0  1  0.68  0.0  0.63  1.0
  Ge  Ge1  1  0.0  0.82  0.91  1.0

data_LaReGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   60.51
_cell_angle_beta   72.58
_cell_angle_gamma   72.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReGe2
_chemical_formula_sum   'La1 Re1 Ge2'
_cell_volume   86.04
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.54  0.0  0.46  1.0
  Ge  Ge2  1  0.91  -0.0  0.91  1.0
  Ge  Ge3  1  0.95  0.68  0.37  1.0

La Re Ge Ge
La Re Ge Ge 0 3 o - - 0 2 - o - 1 2 - o o 2 3 + - o 