data_[Ni4Mo2Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4276]
_cell_length_b [3.7944]
_cell_length_c [8.0133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2MoRh6]
_chemical_formula_sum '[Ni4 Mo2 Rh12]'
_cell_volume [244.1390]
_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  4  0.1654  0.5000  0.7195  1.0
  Mo  Mo1  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh2  4  0.0042  0.0000  0.8278  1.0
  Rh  Rh3  4  0.1644  0.5000  0.3876  1.0
  Rh  Rh4  4  0.1651  0.5000  0.0532  1.0
]