data_Cr2CdS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdS4
_chemical_formula_sum   'Cr4 Cd2 S8'
_cell_volume   275.2
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.87  0.87  0.45  1.0
  Cr  Cr1  1  0.87  0.45  0.87  1.0
  Cr  Cr2  1  0.45  0.87  0.87  1.0
  Cr  Cr3  1  0.45  0.45  0.45  1.0
  Cd  Cd4  1  0.58  0.58  0.58  1.0
  Cd  Cd5  1  0.0  0.0  0.0  1.0
  S  S6  1  0.87  0.87  0.87  1.0
  S  S7  1  0.04  0.29  0.29  1.0
  S  S8  1  0.29  0.29  0.04  1.0
  S  S9  1  0.29  0.04  0.29  1.0
  S  S10  1  0.62  0.62  0.87  1.0
  S  S11  1  0.62  0.87  0.62  1.0
  S  S12  1  0.04  0.04  0.04  1.0
  S  S13  1  0.87  0.62  0.62  1.0

data_Cr2CdS4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   17.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr2CdS4
_chemical_formula_sum   'Cr12 Cd6 S24'
_cell_volume   825.6
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cr  Cr0  9  0.19  0.39  0.93  1.0
  Cr  Cr1  3  0.0  0.0  0.55  1.0
  Cd  Cd2  3  0.0  0.0  -0.0  1.0
  Cd  Cd3  3  0.0  0.0  0.42  1.0
  S  S4  9  0.08  0.16  0.3  1.0
  S  S5  9  0.16  0.08  0.8  1.0
  S  S6  3  0.0  0.0  0.13  1.0
  S  S7  3  0.0  0.0  0.96  1.0

Cr Cr Cr Cr Cd Cd S S S S S S S S