data_KMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   120.89
_cell_angle_beta   120.89
_cell_angle_gamma   88.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnCd2
_chemical_formula_sum   'K1 Mn1 Cd2'
_cell_volume   103.56
_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  0.79  1.0
  Cd  Cd0  1  0.0  0.61  0.9  1.0
  Cd  Cd1  1  0.61  0.0  0.9  1.0

data_KMnCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   134.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMnCd2
_chemical_formula_sum   'K2 Mn2 Cd4'
_cell_volume   207.13
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.21  0.0  0.21  1.0
  Cd  Cd2  4  0.41  0.31  0.71  1.0

K Mn Cd Cd