data_KMn2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   7.51
_cell_angle_alpha   93.33
_cell_angle_beta   93.33
_cell_angle_gamma   40.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Zn
_chemical_formula_sum   'K1 Mn2 Zn1'
_cell_volume   76.08
_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  0.49  0.0  0.75  1.0
  Mn  Mn1  1  0.09  0.0  0.86  1.0
  Mn  Mn2  1  0.48  0.0  0.58  1.0
  Zn  Zn3  1  0.38  0.0  0.06  1.0

data_KMn2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.96
_cell_length_c   7.51
_cell_angle_alpha   93.33
_cell_angle_beta   90.0
_cell_angle_gamma   110.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Zn
_chemical_formula_sum   'K1 Mn2 Zn1'
_cell_volume   76.08
_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  0.51  0.25  1.0
  Mn  Mn1  1  0.0  0.52  0.42  1.0
  Mn  Mn2  1  0.0  0.91  0.14  1.0
  Zn  Zn3  1  0.0  0.62  0.94  1.0

K Mn Mn Zn