data_[K4Al8Br28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.9796]
_cell_length_b [11.1780]
_cell_length_c [14.7045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KAl2Br7]
_chemical_formula_sum '[K4 Al8 Br28]'
_cell_volume [1504.1287]
_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
[
  K  K0  4  0.1119  0.1172  0.3804  1
  Al  Al1  4  0.1727  0.7191  0.4551  1
  Al  Al2  4  0.3980  0.2141  0.7973  1
  Br  Br3  4  0.0171  0.0838  0.1175  1
  Br  Br4  4  0.1539  0.6273  0.0522  1
  Br  Br5  4  0.2055  0.7096  0.8234  1
  Br  Br6  4  0.2184  0.1062  0.7965  1
  Br  Br7  4  0.3801  0.2264  0.6343  1
  Br  Br8  4  0.3803  0.5932  0.5837  1
  Br  Br9  4  0.4316  0.1026  0.3794  1
]