data_[Pa4Nb8Te12]
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 [21.3476]
_cell_length_b [3.7213]
_cell_length_c [8.7311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaNb2Te3]
_chemical_formula_sum '[Pa4 Nb8 Te12]'
_cell_volume [693.3968]
_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
[
  Pa  Pa0  4  0.1574  0.5000  0.0574  1
  Nb  Nb1  4  0.0454  0.0000  0.1387  1
  Nb  Nb2  4  0.2071  0.5000  0.4484  1
  Te  Te3  4  0.0787  0.5000  0.3621  1
  Te  Te4  4  0.0844  0.0000  0.8337  1
  Te  Te5  4  0.2438  0.5000  0.7619  1
]