data_TiRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.97
_cell_angle_alpha   105.15
_cell_angle_beta   105.15
_cell_angle_gamma   53.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRhSe2
_chemical_formula_sum   'Ti1 Rh1 Se2'
_cell_volume   71.03
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.63  0.0  0.85  1.0
  Se  Se1  1  0.78  0.0  0.45  1.0
  Se  Se2  1  0.48  0.0  0.26  1.0

data_TiRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.93
_cell_length_c   5.97
_cell_angle_alpha   105.15
_cell_angle_beta   90.0
_cell_angle_gamma   116.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRhSe2
_chemical_formula_sum   'Ti1 Rh1 Se2'
_cell_volume   71.03
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.37  0.15  1.0
  Se  Se2  1  0.0  0.22  0.55  1.0
  Se  Se3  1  0.0  0.52  0.74  1.0

Ti Rh Se Se