data_[Pa12Si2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8237]
_cell_length_b [7.0940]
_cell_length_c [11.3022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pa6SiTc2]
_chemical_formula_sum '[Pa12 Si2 Tc4]'
_cell_volume [417.6769]
_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  4  0.0395  0.6900  0.9307  1
  Pa  Pa1  4  0.2575  0.1455  0.9524  1
  Pa  Pa2  4  0.4090  0.5671  0.7396  1
  Tc  Tc3  4  0.1793  0.6219  0.2451  1
  Si  Si4  2  0.5000  0.0000  0.5000  1
]