data_Ni2RhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   147.81
_cell_angle_beta   127.05
_cell_angle_gamma   63.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2RhCl
_chemical_formula_sum   'Ni2 Rh1 Cl1'
_cell_volume   52.8
_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  0.0  0.23  0.17  1.0
  Ni  Ni2  1  0.0  0.0  0.09  1.0
  Rh  Rh3  1  0.0  0.23  0.07  1.0
  Cl  Cl0  1  0.0  0.0  0.45  1.0

data_Ni2RhCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.46
_cell_length_c   5.01
_cell_angle_alpha   116.48
_cell_angle_beta   106.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2RhCl
_chemical_formula_sum   'Ni2 Rh1 Cl1'
_cell_volume   52.8
_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  0.83  0.06  0.06  1.0
  Ni  Ni1  1  0.91  0.91  0.91  1.0
  Rh  Rh2  1  0.93  0.16  0.16  1.0
  Cl  Cl3  1  0.55  0.55  0.55  1.0

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