data_[Cs4Tm4Np2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1893]
_cell_length_b [12.4627]
_cell_length_c [8.9278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tm2NpSe6]
_chemical_formula_sum '[Cs4 Tm4 Np2 Se12]'
_cell_volume [769.4555]
_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
[
  Cs  Cs0  4  0.0000  0.1679  0.0000  1
  Tm  Tm1  4  0.0000  0.3332  0.5000  1
  Np  Np2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2274  0.1660  0.6807  1
  Se  Se4  4  0.2287  0.5000  0.6804  1
]