data_[K4Ba2Sr2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0810]
_cell_length_b [8.5772]
_cell_length_c [14.1819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2BaSrBr6]
_chemical_formula_sum '[K4 Ba2 Sr2 Br12]'
_cell_volume [811.1554]
_cell_formula_units_Z [2]
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  0.2215  0.0773  0.2504  1.0
  Ba  Ba1  2  0.5000  0.0000  0.0000  1.0
  Sr  Sr2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1068  0.2031  0.9234  1.0
  Br  Br4  4  0.2291  0.6903  0.9277  1.0
  Br  Br5  4  0.3834  0.0635  0.7418  1.0
]