data_[Sr1Ag2Pd1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0358]
_cell_length_b [8.1915]
_cell_length_c [7.0581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrAg2PdBr8]
_chemical_formula_sum '[Sr1 Ag2 Pd1 Br8]'
_cell_volume [400.7786]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  2  0.5000  0.2431  0.5000  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.1925  0.2079  0.8512  1.0
  Br  Br4  2  0.2587  0.5000  0.3973  1.0
  Br  Br5  2  0.2852  0.0000  0.3253  1.0
]