data_KMnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   141.96
_cell_angle_beta   108.32
_cell_angle_gamma   84.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnCl2
_chemical_formula_sum   'K1 Mn1 Cl2'
_cell_volume   109.1
_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  K2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.29  1.0
  Cl  Cl0  1  0.88  0.0  0.66  1.0
  Cl  Cl1  1  0.0  0.38  0.63  1.0

data_KMnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   71.68
_cell_angle_beta   70.98
_cell_angle_gamma   70.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnCl2
_chemical_formula_sum   'K1 Mn1 Cl2'
_cell_volume   109.1
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.29  0.0  0.71  1.0
  Cl  Cl2  1  0.63  -0.0  0.75  1.0
  Cl  Cl3  1  0.78  0.88  0.34  1.0

K Mn Cl Cl