# generated using pymatgen
data_KMnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96865944
_cell_length_b   7.09603931
_cell_length_c   9.99008665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnCl3
_chemical_formula_sum   'K4 Mn4 Cl12'
_cell_volume   494.00859926
_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  0.98732590  0.04953322  0.25000000  1.0
  K  K1  1  0.48732590  0.45046678  0.75000000  1.0
  K  K2  1  0.51267410  0.54953322  0.25000000  1.0
  K  K3  1  0.01267410  0.95046678  0.75000000  1.0
  Mn  Mn4  1  0.50000000  -0.00000000  -0.00000000  1.0
  Mn  Mn5  1  -0.00000000  0.50000000  -0.00000000  1.0
  Mn  Mn6  1  -0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn7  1  0.50000000  -0.00000000  0.50000000  1.0
  Cl  Cl8  1  0.70716106  0.29207632  0.46901053  1.0
  Cl  Cl9  1  0.20716106  0.20792368  0.53098947  1.0
  Cl  Cl10  1  0.79283894  0.79207632  0.03098947  1.0
  Cl  Cl11  1  0.29283894  0.70792368  0.96901053  1.0
  Cl  Cl12  1  0.29283894  0.70792368  0.53098947  1.0
  Cl  Cl13  1  0.79283894  0.79207632  0.46901053  1.0
  Cl  Cl14  1  0.20716106  0.20792368  0.96901053  1.0
  Cl  Cl15  1  0.70716106  0.29207632  0.03098947  1.0
  Cl  Cl16  1  0.06084218  0.49359365  0.25000000  1.0
  Cl  Cl17  1  0.56084218  0.00640635  0.75000000  1.0
  Cl  Cl18  1  0.43915782  0.99359365  0.25000000  1.0
  Cl  Cl19  1  0.93915782  0.50640635  0.75000000  1.0