data_Cu2SiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   31.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiRh
_chemical_formula_sum   'Cu2 Si1 Rh1'
_cell_volume   50.86
_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
  Cu  Cu0  1  0.85  0.0  0.98  1.0
  Cu  Cu1  1  0.0  0.0  0.9  1.0
  Si  Si3  1  0.0  0.0  0.49  1.0
  Rh  Rh2  1  0.85  0.0  0.58  1.0

data_Cu2SiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.71
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiRh
_chemical_formula_sum   'Cu2 Si1 Rh1'
_cell_volume   50.86
_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
  Cu  Cu0  1  0.02  0.85  0.02  1.0
  Cu  Cu1  1  0.1  0.0  0.1  1.0
  Si  Si2  1  0.51  0.0  0.51  1.0
  Rh  Rh3  1  0.42  0.85  0.42  1.0

Cu Cu Si Rh
Cu Cu Si Rh 0 1 + o o 2 3 - o o 