data_[Pa2Ti2C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1958]
_cell_length_b [3.2028]
_cell_length_c [11.1709]
_cell_angle_alpha [97.5823]
_cell_angle_beta [90.2278]
_cell_angle_gamma [119.8328]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PaTiC]
_chemical_formula_sum '[Pa2 Ti2 C2]'
_cell_volume [97.9965]
_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  0.2143  0.9169  0.1416  1
  Ti  Ti1  2  0.3732  0.2640  0.6156  1
  C  C2  2  0.0721  0.6597  0.7134  1
]