data_K2MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.88
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnCr
_chemical_formula_sum   'K2 Mn1 Cr1'
_cell_volume   119.2
_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  K1  1  0.67  0.94  0.88  1.0
  K  K2  1  0.19  0.0  0.96  1.0
  Mn  Mn3  1  0.27  0.94  0.67  1.0
  Cr  Cr0  1  0.58  0.0  0.16  1.0

data_K2MnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.88
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnCr
_chemical_formula_sum   'K2 Mn1 Cr1'
_cell_volume   119.2
_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  0.19  0.0  0.96  1.0
  K  K1  1  0.67  0.94  0.88  1.0
  Mn  Mn2  1  0.27  0.94  0.67  1.0
  Cr  Cr3  1  0.58  0.0  0.16  1.0

K K Mn Cr
K K Mn Cr 0 1 o + o 0 1 + + o 0 2 o o o 1 3 o o + 