data_GeRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.16
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   91.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRh2Se
_chemical_formula_sum   'Ge1 Rh2 Se1'
_cell_volume   61.57
_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  0.4  0.58  0.44  1.0
  Rh  Rh2  1  0.41  0.58  0.02  1.0
  Se  Se3  1  0.9  0.0  0.23  1.0

data_GeRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.16
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   91.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRh2Se
_chemical_formula_sum   'Ge1 Rh2 Se1'
_cell_volume   61.57
_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  0.4  0.58  0.44  1.0
  Rh  Rh2  1  0.41  0.58  0.02  1.0
  Se  Se3  1  0.9  0.0  0.23  1.0

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