data_[K1Sr2Tl1Br8]
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
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8932]
_cell_length_b [9.3528]
_cell_length_c [7.1388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSr2TlBr8]
_chemical_formula_sum '[K1 Sr2 Tl1 Br8]'
_cell_volume [460.2371]
_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  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2474  0.5000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2364  0.2136  0.1426  1.0
  Br  Br4  2  0.2440  0.0000  0.6606  1.0
  Br  Br5  2  0.2636  0.5000  0.6294  1.0
]