data_BeReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   22.37
_cell_angle_beta   22.37
_cell_angle_gamma   22.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReGe2
_chemical_formula_sum   'Be1 Re1 Ge2'
_cell_volume   57.92
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.25  1.0
  Ge  Ge1  1  0.0  0.0  0.79  1.0
  Ge  Ge2  1  0.0  0.0  0.72  1.0

data_BeReGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   2.99
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeReGe2
_chemical_formula_sum   'Be2 Re2 Ge4'
_cell_volume   115.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.75  1.0
  Ge  Ge2  2  0.0  0.0  0.21  1.0
  Ge  Ge3  2  0.0  0.0  0.28  1.0

Be Re Ge Ge