data_Co2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2RhSe
_chemical_formula_sum   'Co2 Rh1 Se1'
_cell_volume   52.16
_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
  Co  Co0  1  0.98  0.0  0.52  1.0
  Co  Co1  1  0.98  0.0  0.96  1.0
  Rh  Rh2  1  0.0  0.0  0.24  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Co2RhSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Co2RhSe
_chemical_formula_sum   'Co2 Rh1 Se1'
_cell_volume   52.18
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Co  Co0  1  0.98  0.0  0.52  1.0
  Co  Co1  1  0.98  0.0  0.96  1.0
  Rh  Rh2  1  0.0  0.0  0.24  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Co Co Rh Se
Co Co Rh Se 0 2 + o o 1 3 + o + 1 2 + o + 2 3 o o o 