data_FeRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   130.18
_cell_angle_beta   130.18
_cell_angle_gamma   73.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh2Se
_chemical_formula_sum   'Fe1 Rh2 Se1'
_cell_volume   55.98
_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  0.0  1.0
  Rh  Rh1  1  0.94  0.0  0.85  1.0
  Rh  Rh2  1  0.0  0.0  0.71  1.0
  Se  Se3  1  0.0  0.94  0.85  1.0

data_FeRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.61
_cell_angle_alpha   114.91
_cell_angle_beta   114.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh2Se
_chemical_formula_sum   'Fe1 Rh2 Se1'
_cell_volume   55.98
_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  0.0  1.0
  Rh  Rh1  1  0.15  0.0  0.09  1.0
  Rh  Rh2  1  0.29  0.0  0.29  1.0
  Se  Se3  1  0.09  0.94  0.09  1.0

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