data_NiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.54
_cell_angle_alpha   99.15
_cell_angle_beta   99.15
_cell_angle_gamma   119.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh
_chemical_formula_sum   'Ni3 Rh3'
_cell_volume   76.32
_cell_formula_units_Z   3
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  0.54  0.91  0.15  1.0
  Ni  Ni1  1  0.27  0.62  0.0  1.0
  Ni  Ni2  1  0.27  0.01  0.0  1.0
  Rh  Rh3  1  0.54  0.32  0.15  1.0
  Rh  Rh4  1  0.54  0.71  0.15  1.0
  Rh  Rh5  1  0.27  0.35  0.0  1.0

data_NiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.54
_cell_angle_alpha   99.15
_cell_angle_beta   99.15
_cell_angle_gamma   119.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh
_chemical_formula_sum   'Ni3 Rh3'
_cell_volume   76.32
_cell_formula_units_Z   3
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  0.27  0.01  0.0  1.0
  Ni  Ni1  1  0.27  0.62  0.0  1.0
  Ni  Ni2  1  0.54  0.91  0.15  1.0
  Rh  Rh3  1  0.27  0.35  0.0  1.0
  Rh  Rh4  1  0.54  0.32  0.15  1.0
  Rh  Rh5  1  0.54  0.71  0.15  1.0

Ni Ni Ni Rh Rh Rh