data_Be2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2RhSe
_chemical_formula_sum   'Be2 Rh1 Se1'
_cell_volume   49.71
_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
  Be  Be0  1  0.0  0.97  0.6  1.0
  Be  Be1  1  0.97  0.0  0.6  1.0
  Rh  Rh2  1  0.97  0.97  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Be2RhSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2RhSe
_chemical_formula_sum   'Be4 Rh2 Se2'
_cell_volume   99.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  4  0.49  0.49  0.6  1.0
  Rh  Rh1  2  0.47  0.5  0.0  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

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