data_GeRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRh2Se
_chemical_formula_sum   'Ge1 Rh2 Se1'
_cell_volume   61.28
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.56  0.59  0.54  1.0
  Rh  Rh2  1  0.56  0.41  0.54  1.0
  Se  Se3  1  0.12  0.0  0.0  1.0

data_GeRh2Se
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.08
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GeRh2Se
_chemical_formula_sum   'Ge1 Rh2 Se1'
_cell_volume   61.29
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  2  0.54  0.41  0.56  1.0
  Se  Se2  1  0.0  0.0  0.12  1.0

Ge Rh Rh Se
Ge Rh Rh Se 0 3 o o o 1 2 o o o 