data_Li2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   131.47
_cell_angle_beta   131.47
_cell_angle_gamma   71.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RhSe
_chemical_formula_sum   'Li2 Rh1 Se1'
_cell_volume   55.48
_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
  Li  Li0  1  0.0  0.91  0.89  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.91  0.0  0.89  1.0
  Se  Se3  1  0.0  0.0  0.79  1.0

data_Li2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.66
_cell_angle_alpha   114.27
_cell_angle_beta   114.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RhSe
_chemical_formula_sum   'Li2 Rh1 Se1'
_cell_volume   55.48
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.98  0.89  0.98  1.0
  Rh  Rh2  1  0.89  0.98  0.98  1.0
  Se  Se3  1  0.79  0.79  0.79  1.0

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