data_NiRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   2.85
_cell_angle_alpha   105.77
_cell_angle_beta   105.77
_cell_angle_gamma   115.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh2Cl
_chemical_formula_sum   'Ni1 Rh2 Cl1'
_cell_volume   57.78
_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
  Ni  Ni1  1  0.72  0.0  0.0  1.0
  Rh  Rh2  1  0.63  0.84  0.23  1.0
  Rh  Rh3  1  0.63  0.16  0.23  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NiRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.68
_cell_length_c   5.11
_cell_angle_alpha   116.93
_cell_angle_beta   105.77
_cell_angle_gamma   90.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh2Cl
_chemical_formula_sum   'Ni1 Rh2 Cl1'
_cell_volume   57.78
_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
  Ni  Ni0  1  0.0  0.0  0.72  1.0
  Rh  Rh1  1  0.06  0.84  0.47  1.0
  Rh  Rh2  1  0.39  0.16  0.79  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ni Rh Rh Cl
Ni Rh Rh Cl 0 2 o o o 0 1 o - o 0 3 + o o 