data_Cd2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.41
_cell_angle_alpha   111.64
_cell_angle_beta   111.64
_cell_angle_gamma   41.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RhSe
_chemical_formula_sum   'Cd2 Rh1 Se1'
_cell_volume   75.1
_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
  Cd  Cd0  1  0.99  0.0  0.04  1.0
  Cd  Cd1  1  0.13  0.0  0.02  1.0
  Rh  Rh2  1  0.06  0.0  0.03  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cd2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.41
_cell_length_c   5.28
_cell_angle_alpha   111.64
_cell_angle_beta   110.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RhSe
_chemical_formula_sum   'Cd2 Rh1 Se1'
_cell_volume   75.1
_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
  Cd  Cd0  1  0.0  0.02  0.13  1.0
  Cd  Cd1  1  0.0  0.04  0.99  1.0
  Rh  Rh2  1  0.0  0.03  0.06  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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