data_[K1Tb1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9066]
_cell_length_b [6.9239]
_cell_length_c [7.4249]
_cell_angle_alpha [93.3304]
_cell_angle_beta [93.6017]
_cell_angle_gamma [113.6655]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KTbCuBr6]
_chemical_formula_sum '[K1 Tb1 Cu1 Br6]'
_cell_volume [323.2093]
_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  0.9778  0.0189  0.0007  1.0
  Tb  Tb1  1  0.3184  0.6833  0.5017  1.0
  Cu  Cu2  1  0.6722  0.3375  0.4954  1.0
  Br  Br3  1  0.0011  0.6321  0.2402  1.0
  Br  Br4  1  0.3660  0.9917  0.7668  1.0
  Br  Br5  1  0.4030  0.3730  0.2826  1.0
  Br  Br6  1  0.6319  0.5963  0.7149  1.0
  Br  Br7  1  0.6335  0.0055  0.3233  1.0
  Br  Br8  1  0.9960  0.3615  0.6746  1.0
]