data_AlSi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   153.33
_cell_angle_beta   138.67
_cell_angle_gamma   49.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi2Rh
_chemical_formula_sum   'Al1 Si2 Rh1'
_cell_volume   61.91
_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  0.0  0.0  1.0
  Si  Si2  1  0.37  0.0  0.22  1.0
  Si  Si3  1  0.0  0.1  0.16  1.0
  Rh  Rh1  1  0.0  0.0  0.39  1.0

data_AlSi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.19
_cell_length_c   5.94
_cell_angle_alpha   110.66
_cell_angle_beta   103.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi2Rh
_chemical_formula_sum   'Al1 Si2 Rh1'
_cell_volume   61.91
_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  0.0  0.0  1.0
  Si  Si1  1  0.15  0.78  0.15  1.0
  Si  Si2  1  0.84  0.93  0.93  1.0
  Rh  Rh3  1  0.61  0.61  0.61  1.0

Al Si Si Rh
Al Si Si Rh 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 