data_Fe2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2RhSe
_chemical_formula_sum   'Fe2 Rh1 Se1'
_cell_volume   57.85
_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
  Fe  Fe0  1  0.58  0.0  0.02  1.0
  Fe  Fe1  1  0.0  0.0  0.15  1.0
  Rh  Rh2  1  0.58  0.0  0.21  1.0
  Se  Se3  1  0.0  0.0  0.89  1.0

data_Fe2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2RhSe
_chemical_formula_sum   'Fe2 Rh1 Se1'
_cell_volume   57.85
_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
  Fe  Fe0  1  0.0  0.0  0.15  1.0
  Fe  Fe1  1  0.58  0.0  0.02  1.0
  Rh  Rh2  1  0.58  0.0  0.21  1.0
  Se  Se3  1  0.0  0.0  0.89  1.0

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