data_[Sm4Np4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7464]
_cell_length_b [4.1246]
_cell_length_c [15.9404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmNpSe3]
_chemical_formula_sum '[Sm4 Np4 Se12]'
_cell_volume [509.3050]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  4  0.2372  0.7500  0.5424  1
  Np  Np1  4  0.1364  0.2500  0.7908  1
  Se  Se2  4  0.0055  0.2500  0.6098  1
  Se  Se3  4  0.1237  0.7500  0.9296  1
  Se  Se4  4  0.1467  0.2500  0.2218  1
]