data_[Pr4Np4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [7.9205]
_cell_length_b [7.7170]
_cell_length_c [11.7953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrNpTe3]
_chemical_formula_sum '[Pr4 Np4 Te12]'
_cell_volume [672.8201]
_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
[
  Pr  Pr0  4  0.3608  0.2138  0.8651  1
  Np  Np1  4  0.0229  0.7008  0.9566  1
  Te  Te2  4  0.0433  0.6234  0.2247  1
  Te  Te3  4  0.2757  0.0093  0.0746  1
  Te  Te4  4  0.3656  0.0368  0.5953  1
]