data_NiSn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.48
_cell_angle_alpha   101.7
_cell_angle_beta   101.7
_cell_angle_gamma   43.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSn2Rh
_chemical_formula_sum   'Ni1 Sn2 Rh1'
_cell_volume   70.92
_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  0.0  1.0
  Sn  Sn2  1  0.85  0.0  0.29  1.0
  Sn  Sn3  1  0.17  0.0  0.05  1.0
  Rh  Rh1  1  0.51  0.0  0.67  1.0

data_NiSn2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.41
_cell_length_c   5.48
_cell_angle_alpha   101.7
_cell_angle_beta   90.0
_cell_angle_gamma   111.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSn2Rh
_chemical_formula_sum   'Ni1 Sn2 Rh1'
_cell_volume   70.92
_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  0.0  1.0
  Sn  Sn1  1  0.0  0.15  0.71  1.0
  Sn  Sn2  1  0.0  0.83  0.95  1.0
  Rh  Rh3  1  0.0  0.49  0.33  1.0

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