data_[Pa1Ag3Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.0124]
_cell_length_b [7.9758]
_cell_length_c [20.5946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PaAg3Br8]
_chemical_formula_sum '[Pa1 Ag3 Br8]'
_cell_volume [1151.8546]
_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  1  0.0055  0.0000  0.5416  1
  Ag  Ag1  2  0.5204  0.3114  0.4562  1
  Ag  Ag2  1  0.9091  0.5000  0.4488  1
  Br  Br3  2  0.1466  0.2249  0.4421  1
  Br  Br4  2  0.1726  0.2303  0.6155  1
  Br  Br5  1  0.6419  0.5000  0.3529  1
  Br  Br6  1  0.6706  0.5000  0.5551  1
  Br  Br7  1  0.6994  0.0000  0.4497  1
  Br  Br8  1  0.7158  0.0000  0.6245  1
]