data_[Ni4Rh2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6011]
_cell_length_b [3.5706]
_cell_length_c [10.3418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ni2RhSe3]
_chemical_formula_sum '[Ni4 Rh2 Se6]'
_cell_volume [234.4339]
_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  0.0672  0.7500  0.4320  1.0
  Ni  Ni1  2  0.4006  0.2500  0.9102  1.0
  Rh  Rh2  2  0.2299  0.7500  0.7011  1.0
  Se  Se3  2  0.0421  0.2500  0.8003  1.0
  Se  Se4  2  0.2967  0.2500  0.5310  1.0
  Se  Se5  2  0.4058  0.2500  0.1399  1.0
]