data_NbZnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   126.85
_cell_angle_beta   126.85
_cell_angle_gamma   78.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnRh2
_chemical_formula_sum   'Nb1 Zn1 Rh2'
_cell_volume   59.74
_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  0.0  0.0  0.55  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.05  0.78  1.0
  Rh  Rh2  1  0.05  0.0  0.78  1.0

data_NbZnRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   129.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbZnRh2
_chemical_formula_sum   'Nb2 Zn2 Rh4'
_cell_volume   119.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.55  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  4  0.47  0.47  0.72  1.0

Nb Zn Rh Rh
Nb Zn Rh Rh 0 2 o o o 0 3 o o o 1 2 o o - 1 3 o o - 2 3 o o o 