data_[Ni2Rh2Se8]
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 [12.3794]
_cell_length_b [3.5232]
_cell_length_c [17.8106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NiRhSe4]
_chemical_formula_sum '[Ni2 Rh2 Se8]'
_cell_volume [776.8219]
_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  0.1196  0.7500  0.5007  1
  Rh  Rh1  2  0.3675  0.2500  0.5054  1
  Se  Se2  2  0.0433  0.2500  0.5726  1
  Se  Se3  2  0.1985  0.2500  0.4274  1
  Se  Se4  2  0.2771  0.7500  0.5789  1
  Se  Se5  2  0.4589  0.7500  0.4245  1
]