data_[Sm4Np4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9611]
_cell_length_b [7.5224]
_cell_length_c [10.0341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmNpTe3]
_chemical_formula_sum '[Sm4 Np4 Te12]'
_cell_volume [651.5242]
_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  0.3990  0.6984  0.3478  1
  Np  Np1  4  0.0075  0.2434  0.5023  1
  Te  Te2  4  0.0673  0.5089  0.2691  1
  Te  Te3  4  0.3041  0.5154  0.6161  1
  Te  Te4  4  0.3089  0.0003  0.5369  1
]