data_[Pt4Rh2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2363]
_cell_length_b [3.8145]
_cell_length_c [11.1314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pt2RhSe6]
_chemical_formula_sum '[Pt4 Rh2 Se12]'
_cell_volume [415.9106]
_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
[
  Pt  Pt0  4  0.1649  0.5000  0.8327  1
  Rh  Rh1  2  0.0000  0.0000  0.5000  1
  Se  Se2  4  0.0041  0.0000  0.2776  1
  Se  Se3  4  0.1647  0.5000  0.6066  1
  Se  Se4  4  0.1664  0.5000  0.0612  1
]