data_SnRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRhSe2
_chemical_formula_sum   'Sn1 Rh1 Se2'
_cell_volume   84.83
_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
  Sn  Sn3  1  0.74  0.0  0.0  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.74  0.58  0.9  1.0
  Se  Se2  1  0.74  0.42  0.9  1.0

data_SnRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   112.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRhSe2
_chemical_formula_sum   'Sn1 Rh1 Se2'
_cell_volume   84.83
_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
  Sn  Sn0  1  0.0  0.74  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.9  0.74  0.42  1.0
  Se  Se3  1  0.9  0.74  0.58  1.0

Sn Rh Se Se
Sn Rh Se Se 0 1 + o o 2 3 o o o 