data_[Pa2Nb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3561]
_cell_length_b [5.3129]
_cell_length_c [9.4887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa(NbTe3)2]
_chemical_formula_sum '[Pa2 Nb4 Te12]'
_cell_volume [580.3755]
_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
[
  Pa  Pa0  2  0.0000  0.0000  0.5000  1
  Nb  Nb1  4  0.1317  0.0000  0.0421  1
  Te  Te2  4  0.0817  0.0000  0.2739  1
  Te  Te3  4  0.1378  0.5000  0.6204  1
  Te  Te4  4  0.2375  0.5000  0.1101  1
]