data_[Ba2Th1Pa1Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0273]
_cell_length_b [4.6371]
_cell_length_c [8.3951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2ThPaSb4]
_chemical_formula_sum '[Ba2 Th1 Pa1 Sb4]'
_cell_volume [296.2024]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.5000  1
  Ba  Ba1  1  0.5000  0.0000  0.5000  1
  Th  Th2  1  0.5000  0.5000  0.0000  1
  Pa  Pa3  1  0.0000  0.0000  0.0000  1
  Sb  Sb4  2  0.2298  0.5000  0.2103  1
  Sb  Sb5  2  0.2545  0.0000  0.7860  1
]