data_[Ba1Th1Ag2Br8]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0461]
_cell_length_b [7.5797]
_cell_length_c [9.5218]
_cell_angle_alpha [71.4516]
_cell_angle_beta [89.7987]
_cell_angle_gamma [79.3479]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaTh(AgBr4)2]
_chemical_formula_sum '[Ba1 Th1 Ag2 Br8]'
_cell_volume [472.9750]
_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  0.0000  0.5000  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.4991  0.6606  0.3146  1
  Br  Br3  2  0.1076  0.2416  0.7199  1
  Br  Br4  2  0.1253  0.2146  0.1659  1
  Br  Br5  2  0.3704  0.7602  0.0355  1
  Br  Br6  2  0.4246  0.7347  0.5654  1
]