data_MnCd4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.11
_cell_length_b   17.11
_cell_length_c   17.11
_cell_angle_alpha   13.98
_cell_angle_beta   13.98
_cell_angle_gamma   13.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd4S5
_chemical_formula_sum   'Mn1 Cd4 S5'
_cell_volume   254.42
_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
  Mn  Mn0  1  0.0  0.0  0.35  1.0
  Cd  Cd1  1  0.0  0.0  0.07  1.0
  Cd  Cd2  1  0.0  0.0  0.5  1.0
  Cd  Cd3  1  0.0  0.0  0.15  1.0
  Cd  Cd4  1  0.0  0.0  0.55  1.0
  S  S5  1  0.0  0.0  0.31  1.0
  S  S6  1  0.0  0.0  0.95  1.0
  S  S7  1  0.0  0.0  0.59  1.0
  S  S8  1  0.0  0.0  0.97  1.0
  S  S9  1  0.0  0.0  0.92  1.0

data_MnCd4S5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.21
_cell_length_b   4.16
_cell_length_c   17.11
_cell_angle_alpha   90.0
_cell_angle_beta   98.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCd4S5
_chemical_formula_sum   'Mn2 Cd8 S10'
_cell_volume   508.84
_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
  Mn  Mn0  2  0.0  0.0  0.65  1.0
  Cd  Cd1  2  0.0  0.0  0.45  1.0
  Cd  Cd2  2  0.0  0.0  0.5  1.0
  Cd  Cd3  2  0.0  0.0  0.85  1.0
  Cd  Cd4  2  0.0  0.0  0.93  1.0
  S  S5  2  0.0  0.0  0.03  1.0
  S  S6  2  0.0  0.0  0.05  1.0
  S  S7  2  0.0  0.0  0.08  1.0
  S  S8  2  0.0  0.0  0.41  1.0
  S  S9  2  0.0  0.0  0.69  1.0

Mn Cd Cd Cd Cd S S S S S