data_NiRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.23
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRhSe2
_chemical_formula_sum   'Ni1 Rh1 Se2'
_cell_volume   60.48
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.12  0.23  1.0
  Se  Se2  1  0.6  0.12  0.0  1.0
  Se  Se3  1  0.6  0.0  0.23  1.0

data_NiRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.23
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRhSe2
_chemical_formula_sum   'Ni1 Rh1 Se2'
_cell_volume   60.48
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.12  0.23  1.0
  Se  Se2  1  0.6  0.0  0.23  1.0
  Se  Se3  1  0.6  0.12  0.0  1.0

Ni Rh Se Se
Ni Rh Se Se 0 2 - o o 0 1 o o o 1 3 - o o 2 3 o o o 