data_[Pa16Te8C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.5683]
_cell_length_b [10.1020]
_cell_length_c [10.6991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Pa2TeC2]
_chemical_formula_sum '[Pa16 Te8 C16]'
_cell_volume [817.9976]
_cell_formula_units_Z [8]
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  16  0.0000  0.1861  0.5000  1
  Te  Te1  8  0.0000  0.0000  0.0000  1
  C  C2  16  0.0000  0.0000  0.3665  1
]