data_[K1Sr2Tb1Br8]
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
  Tb  1.1000  1.7500  0.9815
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8927]
_cell_length_b [9.4197]
_cell_length_c [7.1980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSr2TbBr8]
_chemical_formula_sum '[K1 Sr2 Tb1 Br8]'
_cell_volume [467.3473]
_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  0.2517  0.5000  1.0
  Tb  Tb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2323  0.2146  0.8439  1.0
  Br  Br4  2  0.2499  0.0000  0.3242  1.0
  Br  Br5  2  0.2606  0.5000  0.3699  1.0
]