data_NbSiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSiRh2
_chemical_formula_sum   'Nb1 Si1 Rh2'
_cell_volume   58.66
_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
  Nb  Nb0  1  0.02  0.0  0.86  1.0
  Si  Si3  1  0.0  0.0  0.66  1.0
  Rh  Rh1  1  0.0  0.0  0.01  1.0
  Rh  Rh2  1  0.02  0.0  1.0  1.0

data_NbSiRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbSiRh2
_chemical_formula_sum   'Nb1 Si1 Rh2'
_cell_volume   58.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Nb  Nb0  1  0.02  0.0  0.86  1.0
  Si  Si1  1  0.0  0.0  0.66  1.0
  Rh  Rh2  1  0.0  0.0  0.01  1.0
  Rh  Rh3  1  0.02  0.0  1.0  1.0

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