data_ScRhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhSe
_chemical_formula_sum   'Sc1 Rh1 Se1'
_cell_volume   52.91
_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
  Sc  Sc1  1  0.0  0.0  0.15  1.0
  Rh  Rh0  1  0.11  0.22  0.96  1.0
  Se  Se2  1  0.0  0.43  0.76  1.0

data_ScRhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhSe
_chemical_formula_sum   'Sc1 Rh1 Se1'
_cell_volume   52.91
_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
  Sc  Sc0  1  0.15  0.0  0.0  1.0
  Rh  Rh1  1  0.96  0.11  0.22  1.0
  Se  Se2  1  0.76  0.0  0.43  1.0

Sc Rh Se
Sc Rh Se 0 1 o o - 1 2 o o o 