# generated using pymatgen
data_K2CuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31113338
_cell_length_b   12.62015212
_cell_length_c   13.22135301
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuBr3
_chemical_formula_sum   'K8 Cu4 Br12'
_cell_volume   719.33625627
_cell_formula_units_Z   4
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  0.25000000  0.17659669  0.51598721  1.0
  K  K1  1  0.25000000  0.51224004  0.32218378  1.0
  K  K2  1  0.75000000  0.82340331  0.48401279  1.0
  K  K3  1  0.75000000  0.48775996  0.67781622  1.0
  K  K4  1  0.75000000  0.98775996  0.82218378  1.0
  K  K5  1  0.25000000  0.67659669  0.98401279  1.0
  K  K6  1  0.75000000  0.32340331  0.01598721  1.0
  K  K7  1  0.25000000  0.01224004  0.17781622  1.0
  Cu  Cu8  1  0.75000000  0.74552657  0.19723993  1.0
  Cu  Cu9  1  0.75000000  0.24552657  0.30276007  1.0
  Cu  Cu10  1  0.25000000  0.25447343  0.80276007  1.0
  Cu  Cu11  1  0.25000000  0.75447343  0.69723993  1.0
  Br  Br12  1  0.75000000  0.72477799  0.79054084  1.0
  Br  Br13  1  0.75000000  0.22477799  0.70945916  1.0
  Br  Br14  1  0.25000000  0.43976640  0.86155884  1.0
  Br  Br15  1  0.25000000  0.93976640  0.63844116  1.0
  Br  Br16  1  0.25000000  0.77522201  0.29054084  1.0
  Br  Br17  1  0.25000000  0.27522201  0.20945916  1.0
  Br  Br18  1  0.25000000  0.63262001  0.55372299  1.0
  Br  Br19  1  0.25000000  0.13262001  0.94627701  1.0
  Br  Br20  1  0.75000000  0.06023360  0.36155884  1.0
  Br  Br21  1  0.75000000  0.86737999  0.05372299  1.0
  Br  Br22  1  0.75000000  0.36737999  0.44627701  1.0
  Br  Br23  1  0.75000000  0.56023360  0.13844116  1.0