data_AlRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.29
_cell_angle_alpha   103.19
_cell_angle_beta   103.19
_cell_angle_gamma   37.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh2Se
_chemical_formula_sum   'Al1 Rh2 Se1'
_cell_volume   60.05
_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
  Al  Al0  1  0.5  0.0  0.43  1.0
  Rh  Rh1  1  0.18  0.0  0.89  1.0
  Rh  Rh2  1  0.7  0.0  0.34  1.0
  Se  Se3  1  0.22  0.0  0.76  1.0

data_AlRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.29
_cell_length_c   4.89
_cell_angle_alpha   103.19
_cell_angle_beta   108.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh2Se
_chemical_formula_sum   'Al1 Rh2 Se1'
_cell_volume   60.05
_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
  Al  Al0  1  0.0  0.43  0.5  1.0
  Rh  Rh1  1  0.0  0.34  0.7  1.0
  Rh  Rh2  1  0.0  0.89  0.18  1.0
  Se  Se3  1  0.0  0.76  0.22  1.0

Al Rh Rh Se
Al Rh Rh Se 0 2 o o o 1 3 o o o 