data_[K1Tm1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8514]
_cell_length_b [6.8824]
_cell_length_c [7.3907]
_cell_angle_alpha [93.1028]
_cell_angle_beta [93.5417]
_cell_angle_gamma [113.9782]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KTmCuBr6]
_chemical_formula_sum '[K1 Tm1 Cu1 Br6]'
_cell_volume [316.6199]
_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  0.9762  0.0170  0.0012  1
  Tm  Tm1  1  0.3215  0.6821  0.5041  1
  Cu  Cu2  1  0.6783  0.3439  0.4891  1
  Br  Br3  1  0.0008  0.6335  0.2511  1
  Br  Br4  1  0.3633  0.9846  0.7647  1
  Br  Br5  1  0.4006  0.3781  0.2811  1
  Br  Br6  1  0.6279  0.0024  0.3220  1
  Br  Br7  1  0.6316  0.5973  0.7134  1
  Br  Br8  1  0.9997  0.3610  0.6734  1
]