data_[Pa2Ti4Ga2O16]
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
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8679]
_cell_length_b [6.6437]
_cell_length_c [6.3131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaTi2GaO8]
_chemical_formula_sum '[Pa2 Ti4 Ga2 O16]'
_cell_volume [288.0515]
_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  0.0000  0.0000  0.5000  1
  Ti  Ti1  4  0.0253  0.5000  0.2296  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0009  0.2034  0.7700  1
  O  O4  4  0.1824  0.5000  0.4846  1
  O  O5  4  0.1898  0.5000  0.0010  1
]