data_[Ni2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5647]
_cell_length_b [2.6821]
_cell_length_c [6.4666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NiRh2]
_chemical_formula_sum '[Ni2 Rh4]'
_cell_volume [79.1555]
_cell_formula_units_Z [2]
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  2  0.3340  0.0000  0.1675  1.0
  Rh  Rh1  2  0.1714  0.5000  0.8400  1.0
  Rh  Rh2  1  0.0000  0.0000  0.5000  1.0
  Rh  Rh3  1  0.5000  0.5000  0.5000  1.0
]