data_LaRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   4.45
_cell_angle_alpha   97.11
_cell_angle_beta   97.11
_cell_angle_gamma   38.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRhSe2
_chemical_formula_sum   'La1 Rh1 Se2'
_cell_volume   96.47
_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
  La  La0  1  0.11  0.0  0.73  1.0
  Rh  Rh1  1  0.18  0.0  0.33  1.0
  Se  Se2  1  0.78  0.0  0.01  1.0
  Se  Se3  1  0.17  0.0  0.95  1.0

data_LaRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.45
_cell_length_c   5.9
_cell_angle_alpha   97.11
_cell_angle_beta   109.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRhSe2
_chemical_formula_sum   'La1 Rh1 Se2'
_cell_volume   96.47
_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
  La  La0  1  0.0  0.73  0.11  1.0
  Rh  Rh1  1  0.0  0.33  0.18  1.0
  Se  Se2  1  0.0  0.01  0.78  1.0
  Se  Se3  1  0.0  0.95  0.17  1.0

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