data_[Pa10Ti10]
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 [Amm2]
_cell_length_a [5.1730]
_cell_length_b [15.3950]
_cell_length_c [5.2746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PaTi]
_chemical_formula_sum '[Pa10 Ti10]'
_cell_volume [420.0578]
_cell_formula_units_Z [10]
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  0.0000  0.2002  0.6096  1
  Pa  Pa1  4  0.5000  0.1963  0.2752  1
  Pa  Pa2  2  0.0000  0.0000  0.5896  1
  Ti  Ti3  4  0.0000  0.0880  0.0864  1
  Ti  Ti4  4  0.5000  0.0955  0.7823  1
  Ti  Ti5  2  0.5000  0.0000  0.2360  1
]