data_[Sr4Ag4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3740]
_cell_length_b [7.9838]
_cell_length_c [12.5466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrAgBr3]
_chemical_formula_sum '[Sr4 Ag4 Br12]'
_cell_volume [651.2291]
_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  0.3320  0.6174  0.2869  1.0
  Ag  Ag1  4  0.3233  0.1031  0.4022  1.0
  Br  Br2  4  0.0499  0.5718  0.7230  1.0
  Br  Br3  4  0.2819  0.1589  0.6021  1.0
  Br  Br4  4  0.3796  0.6775  0.5583  1.0
]