data_[Pa8Ti2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6120]
_cell_length_b [6.1043]
_cell_length_c [5.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa4Ti]
_chemical_formula_sum '[Pa8 Ti2]'
_cell_volume [244.9443]
_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  0.1224  0.5000  0.8749  1
  Pa  Pa1  4  0.2500  0.2500  0.5000  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
]