data_[Sr4Ca4Ag4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2789]
_cell_length_b [12.5882]
_cell_length_c [10.3897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrCaAgBr5]
_chemical_formula_sum '[Sr4 Ca4 Ag4 Br20]'
_cell_volume [1113.2955]
_cell_formula_units_Z [4]
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  4  0.0000  0.3580  0.2500  1
  Ca  Ca1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.3245  0.7500  1
  Br  Br3  8  0.1457  0.1964  0.6336  1
  Br  Br4  8  0.1715  0.4578  0.9576  1
  Br  Br5  4  0.0000  0.1083  0.2500  1
]