data_[Pa10Ti2]
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 [Cm]
_cell_length_a [12.2100]
_cell_length_b [3.0909]
_cell_length_c [8.9892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pa5Ti]
_chemical_formula_sum '[Pa10 Ti2]'
_cell_volume [283.0920]
_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  2  0.0749  0.0000  0.0278  1
  Pa  Pa1  2  0.1045  0.5000  0.7056  1
  Pa  Pa2  2  0.1108  0.5000  0.3586  1
  Pa  Pa3  2  0.3514  0.0000  0.6936  1
  Pa  Pa4  2  0.3643  0.5000  0.3575  1
  Ti  Ti5  2  0.3275  0.0000  0.0237  1
]