data_[Pa5Ti1Co6]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0850]
_cell_length_b [6.7356]
_cell_length_c [7.3154]
_cell_angle_alpha [108.5225]
_cell_angle_beta [101.6709]
_cell_angle_gamma [108.4272]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pa5TiCo6]
_chemical_formula_sum '[Pa5 Ti1 Co6]'
_cell_volume [212.2517]
_cell_formula_units_Z [1]
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  0.2941  0.3947  0.6525  1
  Pa  Pa1  2  0.3804  0.8859  0.6876  1
  Pa  Pa2  1  0.0000  0.5000  0.0000  1
  Ti  Ti3  1  0.0000  0.0000  0.0000  1
  Co  Co4  2  0.1135  0.9733  0.3404  1
  Co  Co5  2  0.1435  0.3657  0.2923  1
  Co  Co6  2  0.4224  0.2787  0.9724  1
]