data_[K1Sr1Br3]
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 [P1]
_cell_length_a [6.0284]
_cell_length_b [6.0492]
_cell_length_c [6.0636]
_cell_angle_alpha [91.9513]
_cell_angle_beta [91.3323]
_cell_angle_gamma [91.2115]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KSrBr3]
_chemical_formula_sum '[K1 Sr1 Br3]'
_cell_volume [220.8796]
_cell_formula_units_Z [1]
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  1  0.9648  0.9537  0.1450  1.0
  Sr  Sr1  1  0.5040  0.5029  0.4723  1.0
  Br  Br2  1  0.0044  0.4778  0.4240  1.0
  Br  Br3  1  0.4831  0.0035  0.4320  1.0
  Br  Br4  1  0.5437  0.5522  0.9667  1.0
]