data_KMn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   3.29
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   95.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Co
_chemical_formula_sum   'K1 Mn2 Co1'
_cell_volume   67.89
_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  0.8  0.0  0.81  1.0
  Mn  Mn2  1  0.97  0.64  0.83  1.0
  Mn  Mn3  1  0.98  0.0  0.87  1.0
  Co  Co0  1  0.73  0.64  0.16  1.0

data_KMn2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   3.29
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   95.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Co
_chemical_formula_sum   'K1 Mn2 Co1'
_cell_volume   67.89
_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  0.8  0.0  0.81  1.0
  Mn  Mn1  1  0.97  0.64  0.83  1.0
  Mn  Mn2  1  0.98  0.0  0.87  1.0
  Co  Co3  1  0.73  0.64  0.16  1.0

K Mn Mn Co
K Mn Mn Co 0 2 o o o 0 1 o - o 0 3 o - + 1 2 o + o 1 3 + o + 1 3 o o + 2 3 + - + 2 3 o o + 2 3 o - + 3 3 + o o 3 3 o + o 