data_InRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.44
_cell_angle_alpha   102.41
_cell_angle_beta   102.41
_cell_angle_gamma   42.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRh2Se
_chemical_formula_sum   'In1 Rh2 Se1'
_cell_volume   68.56
_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
  In  In0  1  0.47  0.0  0.65  1.0
  Rh  Rh1  1  0.84  0.0  0.17  1.0
  Rh  Rh2  1  0.1  0.0  0.13  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_InRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.39
_cell_length_c   5.44
_cell_angle_alpha   102.41
_cell_angle_beta   90.0
_cell_angle_gamma   111.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRh2Se
_chemical_formula_sum   'In1 Rh2 Se1'
_cell_volume   68.56
_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
  In  In0  1  0.0  0.53  0.35  1.0
  Rh  Rh1  1  0.0  0.16  0.83  1.0
  Rh  Rh2  1  0.0  0.9  0.87  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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