data_[Ni1Rh1Se6]
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 [P-1]
_cell_length_a [5.8141]
_cell_length_b [5.8732]
_cell_length_c [6.0207]
_cell_angle_alpha [101.7447]
_cell_angle_beta [110.6267]
_cell_angle_gamma [91.5126]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiRhSe6]
_chemical_formula_sum '[Ni1 Rh1 Se6]'
_cell_volume [187.2990]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1.0
  Rh  Rh1  1  0.5000  0.5000  0.0000  1.0
  Se  Se2  2  0.0611  0.3366  0.8751  1.0
  Se  Se3  2  0.3210  0.8583  0.8783  1.0
  Se  Se4  2  0.4567  0.3385  0.5684  1.0
]