data_[K2Sr2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7558]
_cell_length_b [4.6034]
_cell_length_c [10.2150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSrBr3]
_chemical_formula_sum '[K2 Sr2 Br6]'
_cell_volume [408.2384]
_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  2  0.2153  0.2500  0.4183  1.0
  Sr  Sr1  2  0.3401  0.2500  0.8401  1.0
  Br  Br2  2  0.0270  0.2500  0.6874  1.0
  Br  Br3  2  0.3140  0.7500  0.0382  1.0
  Br  Br4  2  0.4193  0.7500  0.6533  1.0
]