data_KMnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   148.3
_cell_angle_beta   148.3
_cell_angle_gamma   45.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnCd
_chemical_formula_sum   'K1 Mn1 Cd1'
_cell_volume   91.19
_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  0.0  0.0  0.28  1.0
  Mn  Mn2  1  0.0  0.0  0.82  1.0
  Cd  Cd0  1  0.0  0.0  0.66  1.0

data_KMnCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   112.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMnCd
_chemical_formula_sum   'K2 Mn2 Cd2'
_cell_volume   182.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.28  0.0  0.28  1.0
  Mn  Mn1  2  0.32  0.5  0.82  1.0
  Cd  Cd2  2  0.16  0.5  0.66  1.0

K Mn Cd
K Mn Cd 0 2 o o o 1 2 o o o 