data_GaRe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.52
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Ge
_chemical_formula_sum   'Ga1 Re2 Ge1'
_cell_volume   59.77
_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
  Ga  Ga0  1  0.0  0.0  0.07  1.0
  Re  Re2  1  0.46  0.0  0.36  1.0
  Re  Re3  1  0.0  0.26  0.53  1.0
  Ge  Ge1  1  0.46  0.26  0.31  1.0

data_GaRe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.51
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Ge
_chemical_formula_sum   'Ga1 Re2 Ge1'
_cell_volume   59.77
_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
  Ga  Ga0  1  0.0  0.93  0.0  1.0
  Re  Re1  1  0.0  0.47  0.74  1.0
  Re  Re2  1  0.54  0.64  0.0  1.0
  Ge  Ge3  1  0.54  0.69  0.74  1.0

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