# generated using pymatgen
data_KCrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00184001
_cell_length_b   7.00184001
_cell_length_c   7.00183967
_cell_angle_alpha   60.36852347
_cell_angle_beta   60.36852347
_cell_angle_gamma   60.36852729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrCl3
_chemical_formula_sum   'K2 Cr2 Cl6'
_cell_volume   244.75224917
_cell_formula_units_Z   2
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  0.73935000  0.73935000  0.73935000  1.0
  K  K1  1  0.23935000  0.23935000  0.23935000  1.0
  Cr  Cr2  1  0.99533600  0.99533600  0.99533600  1.0
  Cr  Cr3  1  0.49533600  0.49533600  0.49533600  1.0
  Cl  Cl4  1  0.74589200  0.20089000  0.29003200  1.0
  Cl  Cl5  1  0.20089000  0.29003200  0.74589200  1.0
  Cl  Cl6  1  0.29003200  0.74589200  0.20089000  1.0
  Cl  Cl7  1  0.79003200  0.70089000  0.24589200  1.0
  Cl  Cl8  1  0.24589200  0.79003200  0.70089000  1.0
  Cl  Cl9  1  0.70089000  0.24589200  0.79003200  1.0