data_[Ag4B4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7172]
_cell_length_b [7.1935]
_cell_length_c [13.3789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgBBr3]
_chemical_formula_sum '[Ag4 B4 Br12]'
_cell_volume [569.3600]
_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
[
  Ag  Ag0  4  0.2336  0.6014  0.1738  1.0
  B  B1  4  0.4019  0.5661  0.9451  1.0
  Br  Br2  4  0.1552  0.0956  0.3183  1.0
  Br  Br3  4  0.2515  0.7316  0.4932  1.0
  Br  Br4  4  0.4394  0.2083  0.6360  1.0
]